N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol

C120H127ClFN27O9 — CID 158630685

IUPACN-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol
SMILESCCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1Cl.CCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.c1ccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)cc1
InChIInChI=1S/C26H27N5O.C24H28N6O3.C24H24N6O2.C23H24ClN5O.C23H24FN5O2/c1-2-6-21(7-3-1)30(17-19-9-10-19)22-11-12-23-24(14-22)29-25(16-27-23)20-15-28-31(18-20)26-8-4-5-13-32-26;1-25-6-7-30(19-10-20(32-2)13-21(11-19)33-3)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-25-24(31)16-7-19(9-20(8-16)32-2)30(14-15-3-4-15)18-5-6-21-22(10-18)29-23(13-26-21)17-11-27-28-12-17;1-4-5-10-29(23-12-18(30-3)7-8-19(23)24)17-6-9-20-21(11-17)27-22(14-25-20)16-13-26-28(2)15-16;1-3-6-29(19-9-17(24)10-20(11-19)31-2)18-4-5-21-22(12-18)27-23(14-25-21)16-13-26-28(15-16)7-8-30/h1-3,6-7,11-12,14-16,18-19,26H,4-5,8-10,13,17H2;4-5,10-16,25,31H,6-9H2,1-3H3;5-13,15H,3-4,14H2,1-2H3,(H,25,31)(H,27,28);6-9,11-15H,4-5,10H2,1-3H3;4-5,9-15,30H,3,6-8H2,1-2H3
InChIKeyHZDRQHXOORFDBW-UHFFFAOYSA-N
MW2145.97 g/mol
LogP22.35
Rot. Bonds38

About N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol

N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 158630685) has the molecular formula C120H127ClFN27O9 and a molecular weight of 2145.97 g/mol. Its IUPAC name is N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound NameN-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol
PubChem CID158630685
Molecular FormulaC120H127ClFN27O9
Molecular Weight2145.97 g/mol
Exact Mass2144.00
IUPAC NameN-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol
SMILESCCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1Cl.CCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.c1ccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)cc1
InChIInChI=1S/C26H27N5O.C24H28N6O3.C24H24N6O2.C23H24ClN5O.C23H24FN5O2/c1-2-6-21(7-3-1)30(17-19-9-10-19)22-11-12-23-24(14-22)29-25(16-27-23)20-15-28-31(18-20)26-8-4-5-13-32-26;1-25-6-7-30(19-10-20(32-2)13-21(11-19)33-3)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-25-24(31)16-7-19(9-20(8-16)32-2)30(14-15-3-4-15)18-5-6-21-22(10-18)29-23(13-26-21)17-11-27-28-12-17;1-4-5-10-29(23-12-18(30-3)7-8-19(23)24)17-6-9-20-21(11-17)27-22(14-25-20)16-13-26-28(2)15-16;1-3-6-29(19-9-17(24)10-20(11-19)31-2)18-4-5-21-22(12-18)27-23(14-25-21)16-13-26-28(15-16)7-8-30/h1-3,6-7,11-12,14-16,18-19,26H,4-5,8-10,13,17H2;4-5,10-16,25,31H,6-9H2,1-3H3;5-13,15H,3-4,14H2,1-2H3,(H,25,31)(H,27,28);6-9,11-15H,4-5,10H2,1-3H3;4-5,9-15,30H,3,6-8H2,1-2H3
InChIKeyHZDRQHXOORFDBW-UHFFFAOYSA-N
XLogP22.35
TPSA382.03 Ų
H-Bond Donors5
H-Bond Acceptors34
Rotatable Bonds38
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002145.97
LogP ≤ 522.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1034

Analyze N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol (CID 158630685) is N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol is CCCCN(c1ccc2ncc(-c3cnn(C)c3)nc2c1)c1cc(OC)ccc1Cl.CCCN(c1cc(F)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.CNC(=O)c1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cn[nH]c4)nc3c2)c1.CNCCN(c1cc(OC)cc(OC)c1)c1ccc2ncc(-c3cnn(CCO)c3)nc2c1.c1ccc(N(CC2CC2)c2ccc3ncc(-c4cnn(C5CCCCO5)c4)nc3c2)cc1.
What is the InChIKey of N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is HZDRQHXOORFDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.C24H28N6O3.C24H24N6O2.C23H24ClN5O.C23H24FN5O2/c1-2-6-21(7-3-1)30(17-19-9-10-19)22-11-12-23-24(14-22)29-25(16-27-23)20-15-28-31(18-20)26-8-4-5-13-32-26;1-25-6-7-30(19-10-20(32-2)13-21(11-19)33-3)18-4-5-22-23(12-18)28-24(15-26-22)17-14-27-29(16-17)8-9-31;1-25-24(31)16-7-19(9-20(8-16)32-2)30(14-15-3-4-15)18-5-6-21-22(10-18)29-23(13-26-21)17-11-27-28-12-17;1-4-5-10-29(23-12-18(30-3)7-8-19(23)24)17-6-9-20-21(11-17)27-22(14-25-20)16-13-26-28(2)15-16;1-3-6-29(19-9-17(24)10-20(11-19)31-2)18-4-5-21-22(12-18)27-23(14-25-21)16-13-26-28(15-16)7-8-30/h1-3,6-7,11-12,14-16,18-19,26H,4-5,8-10,13,17H2;4-5,10-16,25,31H,6-9H2,1-3H3;5-13,15H,3-4,14H2,1-2H3,(H,25,31)(H,27,28);6-9,11-15H,4-5,10H2,1-3H3;4-5,9-15,30H,3,6-8H2,1-2H3.
What are the key properties of N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol?
N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 2145.97 g/mol, XLogP of 22.35, 38 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-chloro-5-methoxyphenyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;N-(cyclopropylmethyl)-3-[1-(oxan-2-yl)pyrazol-4-yl]-N-phenylquinoxalin-6-amine;3-[cyclopropylmethyl-[3-(1H-pyrazol-4-yl)quinoxalin-6-yl]amino]-5-methoxy-N-methylbenzamide;2-[4-[7-[3,5-dimethoxy-N-[2-(methylamino)ethyl]anilino]quinoxalin-2-yl]pyrazol-1-yl]ethanol;2-[4-[7-(3-fluoro-5-methoxy-N-propylanilino)quinoxalin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 158630685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).