1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane

C37H27Cl2N7O2 — CID 157065226

IUPAC1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane
SMILESC.N#Cc1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.O=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12
InChIInChI=1S/C18H11ClN4.C18H12ClN3O2.CH4/c19-15-6-13-5-12(1-2-17(13)22-8-15)10-23-11-14(7-20)16-9-21-4-3-18(16)23;19-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(18(23)24)14-8-20-4-3-17(14)22;/h1-6,8-9,11H,10H2;1-8,10H,9H2,(H,23,24);1H4
InChIKeyABUJYVFCIHFISA-UHFFFAOYSA-N
MW672.58 g/mol
LogP8.78
Rot. Bonds5

About 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane

1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane (PubChem CID 157065226) has the molecular formula C37H27Cl2N7O2 and a molecular weight of 672.58 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane
PubChem CID157065226
Molecular FormulaC37H27Cl2N7O2
Molecular Weight672.58 g/mol
Exact Mass671.16
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane
SMILESC.N#Cc1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.O=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12
InChIInChI=1S/C18H11ClN4.C18H12ClN3O2.CH4/c19-15-6-13-5-12(1-2-17(13)22-8-15)10-23-11-14(7-20)16-9-21-4-3-18(16)23;19-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(18(23)24)14-8-20-4-3-17(14)22;/h1-6,8-9,11H,10H2;1-8,10H,9H2,(H,23,24);1H4
InChIKeyABUJYVFCIHFISA-UHFFFAOYSA-N
XLogP8.78
TPSA122.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500672.58
LogP ≤ 58.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Chloro-1-(quinolin-4-yl)-1H-indole-3-carboxylic acid
CID 68970372
Methyl 1-[(3-chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxylate
CID 134177834
1-[(3-Chloroquinolin-6-yl)methyl]pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 134177964
1-[(3-Chloroquinolin-6-yl)methyl]-5-cyanopyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 134178162
1-[(3-Chloroquinolin-6-yl)methyl]indole-3-carboxylic acid
CID 134178192
5-Chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 134178355
Methyl 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylate
CID 134178403
Ethyl 4-chloro-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylate
CID 134178411
1-[(3-Chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 134178531
1-[(3-Chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 134178694
1-[(3-Chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[3,2-c]pyridine-3-carboxylic acid
CID 134178704
7-[(3-Chloroquinolin-6-yl)methyl]-4-cyanopyrrolo[2,3-d]pyrimidine-5-carboxylic acid
CID 134178821

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane (CID 157065226) is 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane is C.N#Cc1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.O=C(O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccncc12.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane?
The InChIKey is ABUJYVFCIHFISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN4.C18H12ClN3O2.CH4/c19-15-6-13-5-12(1-2-17(13)22-8-15)10-23-11-14(7-20)16-9-21-4-3-18(16)23;19-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(18(23)24)14-8-20-4-3-17(14)22;/h1-6,8-9,11H,10H2;1-8,10H,9H2,(H,23,24);1H4.
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane?
1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane has a molecular weight of 672.58 g/mol, XLogP of 8.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carbonitrile;1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[3,2-c]pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 157065226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).