2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine

C66H76ClN15O3 — CID 160807681

About 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine

2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine (PubChem CID 160807681) has the molecular formula C66H76ClN15O3 and a molecular weight of 1162.89 g/mol. Its IUPAC name is 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine.

Molecular Properties

• Compound Name: 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine
• PubChem CID: 160807681
• Molecular Formula: C66H76ClN15O3
• Molecular Weight: 1162.89 g/mol
• Exact Mass: 1161.59
• IUPAC Name: 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine
• SMILES: NC1CCCC(N)C1.N[C@@H]1CCC[C@H](Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C1.N[C@H]1CCC[C@H](Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C1.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21
• InChI: InChI=1S/2C22H25N5O.C16H12ClN3O.C6H14N2/c2*23-14-4-2-5-15(11-14)25-20-8-7-13-3-1-6-16(21(13)27-20)19-12-17-18(26-19)9-10-24-22(17)28;17-14-5-4-9-2-1-3-10(15(9)20-14)13-8-11-12(19-13)6-7-18-16(11)21;7-5-2-1-3-6(8)4-5/h2*1,3,6-8,12,14-15,26H,2,4-5,9-11,23H2,(H,24,28)(H,25,27);1-5,8,19H,6-7H2,(H,18,21);5-6H,1-4,7-8H2/t14-,15+;14-,15-;;/m10../s1
• InChIKey: SDXDCWSXLVMRBH-RGDRTXFZSA-N
• XLogP: 9.78
• TPSA: 301.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1162.89
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine?

The IUPAC name of 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine (CID 160807681) is 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine.

What is the SMILES notation for 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine?

The canonical SMILES for 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine is NC1CCCC(N)C1.N[C@@H]1CCC[C@H](Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C1.N[C@H]1CCC[C@H](Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)C1.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.

What is the InChIKey of 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine?

The InChIKey is SDXDCWSXLVMRBH-RGDRTXFZSA-N. The full InChI is InChI=1S/2C22H25N5O.C16H12ClN3O.C6H14N2/c2*23-14-4-2-5-15(11-14)25-20-8-7-13-3-1-6-16(21(13)27-20)19-12-17-18(26-19)9-10-24-22(17)28;17-14-5-4-9-2-1-3-10(15(9)20-14)13-8-11-12(19-13)6-7-18-16(11)21;7-5-2-1-3-6(8)4-5/h2*1,3,6-8,12,14-15,26H,2,4-5,9-11,23H2,(H,24,28)(H,25,27);1-5,8,19H,6-7H2,(H,18,21);5-6H,1-4,7-8H2/t14-,15+;14-,15-;;/m10../s1.

What are the key properties of 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine?

2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine has a molecular weight of 1162.89 g/mol, XLogP of 9.78, 7 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[(1S,3R)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-[2-[[(1S,3S)-3-aminocyclohexyl]amino]quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;cyclohexane-1,3-diamine is sourced from PubChem (CID 160807681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).