N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine

C78H82N18O7 — CID 162161239

IUPACN-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine
SMILESCOCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2cnn(C)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C27H25N7O2.C26H30N6O3.C25H27N5O2/c1-32-17-19(14-29-32)6-5-9-34(22-10-23(35-3)13-24(11-22)36-4)21-7-8-25-26(12-21)31-27(16-28-25)20-15-30-33(2)18-20;1-16(2)29-26(33)17(3)32(20-9-21(34-5)12-22(10-20)35-6)19-7-8-23-24(11-19)30-25(14-27-23)18-13-28-31(4)15-18;1-29-15-19(12-27-29)25-13-26-23-7-6-20(11-24(23)28-25)30(14-17-4-5-17)21-8-18(16-31-2)9-22(10-21)32-3/h7-8,10-18H,9H2,1-4H3;7-17H,1-6H3,(H,29,33);6-13,15,17H,4-5,14,16H2,1-3H3
InChIKeyZMMYAFOMNHJZTF-UHFFFAOYSA-N
MW1383.63 g/mol
LogP12.80
Rot. Bonds22

About N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine

N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine (PubChem CID 162161239) has the molecular formula C78H82N18O7 and a molecular weight of 1383.63 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine
PubChem CID162161239
Molecular FormulaC78H82N18O7
Molecular Weight1383.63 g/mol
Exact Mass1382.66
IUPAC NameN-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine
SMILESCOCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2cnn(C)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)C(=O)NC(C)C)c1
InChIInChI=1S/C27H25N7O2.C26H30N6O3.C25H27N5O2/c1-32-17-19(14-29-32)6-5-9-34(22-10-23(35-3)13-24(11-22)36-4)21-7-8-25-26(12-21)31-27(16-28-25)20-15-30-33(2)18-20;1-16(2)29-26(33)17(3)32(20-9-21(34-5)12-22(10-20)35-6)19-7-8-23-24(11-19)30-25(14-27-23)18-13-28-31(4)15-18;1-29-15-19(12-27-29)25-13-26-23-7-6-20(11-24(23)28-25)30(14-17-4-5-17)21-8-18(16-31-2)9-22(10-21)32-3/h7-8,10-18H,9H2,1-4H3;7-17H,1-6H3,(H,29,33);6-13,15,17H,4-5,14,16H2,1-3H3
InChIKeyZMMYAFOMNHJZTF-UHFFFAOYSA-N
XLogP12.80
TPSA242.82 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.63
LogP ≤ 512.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine (CID 162161239) is N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine is COCc1cc(OC)cc(N(CC2CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(CC#Cc2cnn(C)c2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.COc1cc(OC)cc(N(c2ccc3ncc(-c4cnn(C)c4)nc3c2)C(C)C(=O)NC(C)C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine?
The InChIKey is ZMMYAFOMNHJZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2.C26H30N6O3.C25H27N5O2/c1-32-17-19(14-29-32)6-5-9-34(22-10-23(35-3)13-24(11-22)36-4)21-7-8-25-26(12-21)31-27(16-28-25)20-15-30-33(2)18-20;1-16(2)29-26(33)17(3)32(20-9-21(34-5)12-22(10-20)35-6)19-7-8-23-24(11-19)30-25(14-27-23)18-13-28-31(4)15-18;1-29-15-19(12-27-29)25-13-26-23-7-6-20(11-24(23)28-25)30(14-17-4-5-17)21-8-18(16-31-2)9-22(10-21)32-3/h7-8,10-18H,9H2,1-4H3;7-17H,1-6H3,(H,29,33);6-13,15,17H,4-5,14,16H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine?
N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine has a molecular weight of 1383.63 g/mol, XLogP of 12.80, 22 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-methoxy-5-(methoxymethyl)phenyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine;2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-N-propan-2-ylpropanamide;N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-[3-(1-methylpyrazol-4-yl)prop-2-ynyl]quinoxalin-6-amine is sourced from PubChem (CID 162161239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).