N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine

C85H84N16O8 — CID 161248137

About N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine

N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine (PubChem CID 161248137) has the molecular formula C85H84N16O8 and a molecular weight of 1457.71 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine
• PubChem CID: 161248137
• Molecular Formula: C85H84N16O8
• Molecular Weight: 1457.71 g/mol
• Exact Mass: 1456.67
• IUPAC Name: N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine
• SMILES: COc1cc(OC)cc(N(CC#Cc2nccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ncccc2OC)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1
• InChI: InChI=1S/C30H27N5O3.C29H26N6O3.C26H31N5O2/c1-34-20-23(19-33-34)22-13-21-14-24(9-10-28(21)32-18-22)35(25-15-26(36-2)17-27(16-25)37-3)12-6-7-29-30(38-4)8-5-11-31-29;1-34-19-22(18-32-34)21-12-20-13-23(7-8-27(20)31-17-21)35(24-14-25(36-2)16-26(15-24)37-3)11-5-6-28-30-10-9-29(33-28)38-4;1-18(2)27-8-9-31(23-12-24(32-4)14-25(13-23)33-5)22-6-7-26-19(11-22)10-20(15-28-26)21-16-29-30(3)17-21/h5,8-11,13-20H,12H2,1-4H3;7-10,12-19H,11H2,1-4H3;6-7,10-18,27H,8-9H2,1-5H3
• InChIKey: VAXGCNVHMVXZEJ-UHFFFAOYSA-N
• XLogP: 14.68
• TPSA: 226.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 23
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1457.71
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine (CID 161248137) is N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine is COc1cc(OC)cc(N(CC#Cc2nccc(OC)n2)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(CC#Cc2ncccc2OC)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine?

The InChIKey is VAXGCNVHMVXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O3.C29H26N6O3.C26H31N5O2/c1-34-20-23(19-33-34)22-13-21-14-24(9-10-28(21)32-18-22)35(25-15-26(36-2)17-27(16-25)37-3)12-6-7-29-30(38-4)8-5-11-31-29;1-34-19-22(18-32-34)21-12-20-13-23(7-8-27(20)31-17-21)35(24-14-25(36-2)16-26(15-24)37-3)11-5-6-28-30-10-9-29(33-28)38-4;1-18(2)27-8-9-31(23-12-24(32-4)14-25(13-23)33-5)22-6-7-26-19(11-22)10-20(15-28-26)21-16-29-30(3)17-21/h5,8-11,13-20H,12H2,1-4H3;7-10,12-19H,11H2,1-4H3;6-7,10-18,27H,8-9H2,1-5H3.

What are the key properties of N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine?

N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine has a molecular weight of 1457.71 g/mol, XLogP of 14.68, 23 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 161248137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).