2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C42H35ClN10O2 — CID 157464324

IUPAC2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1ccccn1.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5ccccn5)nc34)cc21
InChIInChI=1S/C21H17N5O.C16H12ClN3O.C5H6N2/c27-21-15-12-17(24-16(15)9-11-23-21)14-5-3-4-13-7-8-19(26-20(13)14)25-18-6-1-2-10-22-18;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;6-5-3-1-2-4-7-5/h1-8,10,12,24H,9,11H2,(H,23,27)(H,22,25,26);1-5,8,19H,6-7H2,(H,18,21);1-4H,(H2,6,7)
InChIKeyBUHHOBQTSRLVAQ-UHFFFAOYSA-N
MW747.26 g/mol
LogP7.49
Rot. Bonds4

About 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)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;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 157464324) has the molecular formula C42H35ClN10O2 and a molecular weight of 747.26 g/mol. Its IUPAC name is 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID157464324
Molecular FormulaC42H35ClN10O2
Molecular Weight747.26 g/mol
Exact Mass746.26
IUPAC Name2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESNc1ccccn1.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5ccccn5)nc34)cc21
InChIInChI=1S/C21H17N5O.C16H12ClN3O.C5H6N2/c27-21-15-12-17(24-16(15)9-11-23-21)14-5-3-4-13-7-8-19(26-20(13)14)25-18-6-1-2-10-22-18;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;6-5-3-1-2-4-7-5/h1-8,10,12,24H,9,11H2,(H,23,27)(H,22,25,26);1-5,8,19H,6-7H2,(H,18,21);1-4H,(H2,6,7)
InChIKeyBUHHOBQTSRLVAQ-UHFFFAOYSA-N
XLogP7.49
TPSA179.39 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500747.26
LogP ≤ 57.49
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

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Related Compounds

5-(2-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57392126
2-(2-quinolin-3-ylpyrimidin-4-yl)spiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,4'-piperidine]-4-one
CID 54587802
5-(3-chloroanilino)-N-cyclopropylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393819
5-(3-chloroanilino)-N-methylbenzo[c][2,6]naphthyridine-7-carboxamide
CID 57393887
5-(3-Chlorophenylamino)benzo[c][2,6]naphthyridine-7-carboxamide
CID 57402606
US10981893, Example 22
CID 124173195
4-[[3-[(6-Chloropyridine-3-carbonyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 87139206
2-[7-Fluoro-2-(pyridin-3-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783370
2-(2-((2-chloro-6-fluorophenyl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783747
2-(2-(ethyl(pyridin-3-yl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783772
2-(2-(pyrimidin-5-ylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89784123
2-(2-(3-pyridinylamino)-8-quinolinyl)-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one
CID 89784574

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 157464324) is 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is Nc1ccccn1.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.O=C1NCCc2[nH]c(-c3cccc4ccc(Nc5ccccn5)nc34)cc21.
What is the InChIKey of 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is BUHHOBQTSRLVAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O.C16H12ClN3O.C5H6N2/c27-21-15-12-17(24-16(15)9-11-23-21)14-5-3-4-13-7-8-19(26-20(13)14)25-18-6-1-2-10-22-18;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;6-5-3-1-2-4-7-5/h1-8,10,12,24H,9,11H2,(H,23,27)(H,22,25,26);1-5,8,19H,6-7H2,(H,18,21);1-4H,(H2,6,7).
What are the key properties of 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)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;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 747.26 g/mol, XLogP of 7.49, 4 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;pyridin-2-amine;2-[2-(pyridin-2-ylamino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 157464324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).