4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol

C108H125N25O11 — CID 159186128

IUPAC4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
SMILESCOc1cc(CO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(CCO)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCNC(=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C29H36N6O3.C27H32N6O2.C26H29N7O3.C26H28N6O3/c1-33-20-22(18-31-33)29-19-30-27-5-4-23(16-28(27)32-29)35(24-14-25(37-2)17-26(15-24)38-3)12-11-34-9-6-21(7-10-34)8-13-36;1-31-18-21(16-29-31)27-17-28-25-7-6-22(15-26(25)30-27)33(11-5-10-32-8-3-4-9-32)23-12-20(19-34)13-24(14-23)35-2;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)33(9-8-32-7-6-27-26(34)17-32)20-10-21(35-2)13-22(11-20)36-3;1-30-17-18(15-28-30)25-16-27-23-7-6-19(13-24(23)29-25)32(10-9-31-8-4-5-26(31)33)20-11-21(34-2)14-22(12-20)35-3/h4-5,14-21,36H,6-13H2,1-3H3;6-7,12-18,34H,3-5,8-11,19H2,1-2H3;4-5,10-16H,6-9,17H2,1-3H3,(H,27,34);6-7,11-17H,4-5,8-10H2,1-3H3
InChIKeyKNMXKLRWASGANS-UHFFFAOYSA-N
MW1949.35 g/mol
LogP14.86
Rot. Bonds35

About 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol

4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol (PubChem CID 159186128) has the molecular formula C108H125N25O11 and a molecular weight of 1949.35 g/mol. Its IUPAC name is 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol.

Molecular Properties

Compound Name4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
PubChem CID159186128
Molecular FormulaC108H125N25O11
Molecular Weight1949.35 g/mol
Exact Mass1948.00
IUPAC Name4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
SMILESCOc1cc(CO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(CCO)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCNC(=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C29H36N6O3.C27H32N6O2.C26H29N7O3.C26H28N6O3/c1-33-20-22(18-31-33)29-19-30-27-5-4-23(16-28(27)32-29)35(24-14-25(37-2)17-26(15-24)38-3)12-11-34-9-6-21(7-10-34)8-13-36;1-31-18-21(16-29-31)27-17-28-25-7-6-22(15-26(25)30-27)33(11-5-10-32-8-3-4-9-32)23-12-20(19-34)13-24(14-23)35-2;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)33(9-8-32-7-6-27-26(34)17-32)20-10-21(35-2)13-22(11-20)36-3;1-30-17-18(15-28-30)25-16-27-23-7-6-19(13-24(23)29-25)32(10-9-31-8-4-5-26(31)33)20-11-21(34-2)14-22(12-20)35-3/h4-5,14-21,36H,6-13H2,1-3H3;6-7,12-18,34H,3-5,8-11,19H2,1-2H3;4-5,10-16H,6-9,17H2,1-3H3,(H,27,34);6-7,11-17H,4-5,8-10H2,1-3H3
InChIKeyKNMXKLRWASGANS-UHFFFAOYSA-N
XLogP14.86
TPSA351.56 Ų
H-Bond Donors3
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001949.35
LogP ≤ 514.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1034

Analyze 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol with MolForge

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Related Compounds

N-[(6-chloro-3-pyridinyl)methyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 159082279
cyclopropyl-[4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-1-yl]methanone;N-(3,5-dimethoxyphenyl)-N-[3-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]propyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol
CID 164955756
2-(2-chloro-5-methoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethanol;(3S)-1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidine-3-carbonitrile;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one
CID 159944763
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(3-piperidin-1-ylpyrrolidin-1-yl)propyl]quinoxalin-6-amine
CID 89447143
N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-[4-[2-[4-[7-[N-(cyclopropylmethyl)-3,5-dimethoxyanilino]quinoxalin-2-yl]pyrazol-1-yl]ethyl]piperazin-1-yl]ethanol;N-(cyclopropylmethyl)-N-(3,5-dimethoxyphenyl)-3-[1-(2-piperazin-1-ylethyl)pyrazol-4-yl]quinoxalin-6-amine
CID 159683053
N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-propylquinoxalin-6-amine;1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)propyl]pyrrolidin-2-one;N-(3,5-dimethoxyphenyl)-N-[2-[(3R)-3-ethynylpyrrolidin-1-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylpropane-1,3-diamine
CID 159857348
N-(3,5-dimethoxyphenyl)-N-[2-(3-ethynylpiperidin-1-yl)ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644007
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
3-(3,5-dimethoxy-N-[3-[1-(2-methylsulfonylethyl)pyrazol-4-yl]quinoxalin-6-yl]anilino)propan-1-ol;N-(3,5-dimethoxyphenyl)-3-(1H-pyrazol-4-yl)-N-(3-pyrrolidin-1-ylpropyl)quinoxalin-6-amine;methane;2-[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenoxy]ethanol
CID 165096159
N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288
methyl 6-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)hexanoate
CID 156768545
N-[2-(3,6-dihydro-2H-pyridin-1-yl)ethyl]-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;hydrochloride
CID 134152555

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
The IUPAC name of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol (CID 159186128) is 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol.
What is the SMILES notation for 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
The canonical SMILES for 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol is COc1cc(CO)cc(N(CCCN2CCCC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCC(CCO)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCCC2=O)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CCN2CCNC(=O)C2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
The InChIKey is KNMXKLRWASGANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3.C27H32N6O2.C26H29N7O3.C26H28N6O3/c1-33-20-22(18-31-33)29-19-30-27-5-4-23(16-28(27)32-29)35(24-14-25(37-2)17-26(15-24)38-3)12-11-34-9-6-21(7-10-34)8-13-36;1-31-18-21(16-29-31)27-17-28-25-7-6-22(15-26(25)30-27)33(11-5-10-32-8-3-4-9-32)23-12-20(19-34)13-24(14-23)35-2;1-31-16-18(14-29-31)25-15-28-23-5-4-19(12-24(23)30-25)33(9-8-32-7-6-27-26(34)17-32)20-10-21(35-2)13-22(11-20)36-3;1-30-17-18(15-28-30)25-16-27-23-7-6-19(13-24(23)29-25)32(10-9-31-8-4-5-26(31)33)20-11-21(34-2)14-22(12-20)35-3/h4-5,14-21,36H,6-13H2,1-3H3;6-7,12-18,34H,3-5,8-11,19H2,1-2H3;4-5,10-16H,6-9,17H2,1-3H3,(H,27,34);6-7,11-17H,4-5,8-10H2,1-3H3.
What are the key properties of 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol?
4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol has a molecular weight of 1949.35 g/mol, XLogP of 14.86, 35 rotatable bonds, 3 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperazin-2-one;2-[1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]piperidin-4-yl]ethanol;1-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]pyrrolidin-2-one;[3-methoxy-5-[[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-(3-pyrrolidin-1-ylpropyl)amino]phenyl]methanol is sourced from PubChem (CID 159186128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).