aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane

C70H65ClN12O3 — CID 157435291

IUPACaniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane
SMILESC.CC1CNC(=O)c2cc(-c3cccc4ccc(Cl)nc34)[nH]c21.C[C@@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21.C[C@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21.Nc1ccccc1
InChIInChI=1S/2C23H20N4O.C17H14ClN3O.C6H7N.CH4/c2*1-14-13-24-23(28)18-12-19(26-21(14)18)17-9-5-6-15-10-11-20(27-22(15)17)25-16-7-3-2-4-8-16;1-9-8-19-17(22)12-7-13(20-15(9)12)11-4-2-3-10-5-6-14(18)21-16(10)11;7-6-4-2-1-3-5-6;/h2*2-12,14,26H,13H2,1H3,(H,24,28)(H,25,27);2-7,9,20H,8H2,1H3,(H,19,22);1-5H,7H2;1H4/t2*14-;;;/m10.../s1
InChIKeyBRAIGSJMCKELOV-UQEZSFNJSA-N
MW1157.82 g/mol
LogP15.28
Rot. Bonds7

About aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane

aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane (PubChem CID 157435291) has the molecular formula C70H65ClN12O3 and a molecular weight of 1157.82 g/mol. Its IUPAC name is aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane.

Molecular Properties

Compound Nameaniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane
PubChem CID157435291
Molecular FormulaC70H65ClN12O3
Molecular Weight1157.82 g/mol
Exact Mass1156.50
IUPAC Nameaniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane
SMILESC.CC1CNC(=O)c2cc(-c3cccc4ccc(Cl)nc34)[nH]c21.C[C@@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21.C[C@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21.Nc1ccccc1
InChIInChI=1S/2C23H20N4O.C17H14ClN3O.C6H7N.CH4/c2*1-14-13-24-23(28)18-12-19(26-21(14)18)17-9-5-6-15-10-11-20(27-22(15)17)25-16-7-3-2-4-8-16;1-9-8-19-17(22)12-7-13(20-15(9)12)11-4-2-3-10-5-6-14(18)21-16(10)11;7-6-4-2-1-3-5-6;/h2*2-12,14,26H,13H2,1H3,(H,24,28)(H,25,27);2-7,9,20H,8H2,1H3,(H,19,22);1-5H,7H2;1H4/t2*14-;;;/m10.../s1
InChIKeyBRAIGSJMCKELOV-UQEZSFNJSA-N
XLogP15.28
TPSA223.42 Ų
H-Bond Donors9
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001157.82
LogP ≤ 515.28
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane with MolForge

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Related Compounds

rac-7-methyl-2-(2-(phenylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783256
2-(2-Anilino-3-methylquinolin-8-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783423
2-(2-((2-chloro-6-fluorophenyl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783747
rac-7-ethyl-2-(2-(phenylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89784140
(7S)-2-(2-anilinoquinolin-8-yl)-7-ethyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89793597
2-(2-Anilino-3-methylquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89793642
2-[2-(N-methylanilino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783432
2-(2-(benzylamino)-quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783521
2-[2-(3-Chloroanilino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783653
2-(2-(ethyl(phenyl)amino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783659
2-[2-(2-Chloroanilino)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 89783679
2-(2-(phenylamino)quinolin-8-yl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4(5H)-one
CID 89783948

Frequently Asked Questions

What is the IUPAC name of aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane?
The IUPAC name of aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane (CID 157435291) is aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane.
What is the SMILES notation for aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane?
The canonical SMILES for aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane is C.CC1CNC(=O)c2cc(-c3cccc4ccc(Cl)nc34)[nH]c21.C[C@@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21.C[C@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21.Nc1ccccc1.
What is the InChIKey of aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane?
The InChIKey is BRAIGSJMCKELOV-UQEZSFNJSA-N. The full InChI is InChI=1S/2C23H20N4O.C17H14ClN3O.C6H7N.CH4/c2*1-14-13-24-23(28)18-12-19(26-21(14)18)17-9-5-6-15-10-11-20(27-22(15)17)25-16-7-3-2-4-8-16;1-9-8-19-17(22)12-7-13(20-15(9)12)11-4-2-3-10-5-6-14(18)21-16(10)11;7-6-4-2-1-3-5-6;/h2*2-12,14,26H,13H2,1H3,(H,24,28)(H,25,27);2-7,9,20H,8H2,1H3,(H,19,22);1-5H,7H2;1H4/t2*14-;;;/m10.../s1.
What are the key properties of aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane?
aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane has a molecular weight of 1157.82 g/mol, XLogP of 15.28, 7 rotatable bonds, 9 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;(7R)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;(7S)-2-(2-anilinoquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2-(2-chloroquinolin-8-yl)-7-methyl-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;methane is sourced from PubChem (CID 157435291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).