9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

C21H19ClN4O — CID 174613638

IUPAC9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4C=O)c(Cl)n1
InChIInChI=1S/C21H19ClN4O/c1-11-5-8-14(21(22)24-11)13-3-2-4-15-19(23)18-16(25-20(13)15)9-26(12-6-7-12)17(18)10-27/h2-5,8,10,12,17H,6-7,9H2,1H3,(H2,23,25)
InChIKeyJCCNVKKXHWTDNE-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.06
Rot. Bonds3

About 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde

9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (PubChem CID 174613638) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.

Molecular Properties

Compound Name9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
PubChem CID174613638
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
SMILESCc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4C=O)c(Cl)n1
InChIInChI=1S/C21H19ClN4O/c1-11-5-8-14(21(22)24-11)13-3-2-4-15-19(23)18-16(25-20(13)15)9-26(12-6-7-12)17(18)10-27/h2-5,8,10,12,17H,6-7,9H2,1H3,(H2,23,25)
InChIKeyJCCNVKKXHWTDNE-UHFFFAOYSA-N
XLogP4.06
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde 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

9-amino-2-cyclopropyl-5-fluoro-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613680
9-amino-5-bromo-2-cyclopentyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598114
9-amino-2-methyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613640
9-amino-2-cyclopentyl-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598078
9-amino-2-ethyl-5-(4-methyl-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598073
9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-[(3,4-dimethoxyphenyl)methyl]-3H-pyrrolo[3,4-b]quinolin-1-one
CID 25129989
9-amino-2-ethyl-5-(4-fluoro-3-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174613635
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(2-methoxy-3-pyridinyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598089
9-amino-2-cyclobutyl-5-(2-fluoro-6-methyl-3-pyridinyl)-3H-pyrrolo[3,4-b]quinolin-1-one
CID 59868270
9-amino-5-bromo-6-fluoro-2-methyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598096
9-amino-2-[(3-chloro-4-methoxyphenyl)methyl]-5-(3-fluoro-5-methoxyphenyl)-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde
CID 174598061
9-amino-2-cyclopropyl-5-(2-fluoro-6-methyl-3-pyridinyl)pyrrolo[3,4-b]quinolin-1-ol
CID 136638620

Frequently Asked Questions

What is the IUPAC name of 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The IUPAC name of 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde (CID 174613638) is 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde.
What is the SMILES notation for 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The canonical SMILES for 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is Cc1ccc(-c2cccc3c(N)c4c(nc23)CN(C2CC2)C4C=O)c(Cl)n1.
What is the InChIKey of 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
The InChIKey is JCCNVKKXHWTDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-11-5-8-14(21(22)24-11)13-3-2-4-15-19(23)18-16(25-20(13)15)9-26(12-6-7-12)17(18)10-27/h2-5,8,10,12,17H,6-7,9H2,1H3,(H2,23,25).
What are the key properties of 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde?
9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde has a molecular weight of 378.86 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-5-(2-chloro-6-methyl-3-pyridinyl)-2-cyclopropyl-1,3-dihydropyrrolo[3,4-b]quinoline-1-carbaldehyde is sourced from PubChem (CID 174613638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).