3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C21H17ClN4O — CID 135145478

IUPAC3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2[nH]cc(-c3ccc4nccc(Cl)c4c3)c2c1
InChIInChI=1S/C21H17ClN4O/c1-3-8-26(2)21(27)14-10-15-17(12-25-20(15)24-11-14)13-4-5-19-16(9-13)18(22)6-7-23-19/h3-7,9-12H,1,8H2,2H3,(H,24,25)
InChIKeyKHNUNRTYYWJLRW-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.69
Rot. Bonds4

About 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 135145478) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID135145478
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESC=CCN(C)C(=O)c1cnc2[nH]cc(-c3ccc4nccc(Cl)c4c3)c2c1
InChIInChI=1S/C21H17ClN4O/c1-3-8-26(2)21(27)14-10-15-17(12-25-20(15)24-11-14)13-4-5-19-16(9-13)18(22)6-7-23-19/h3-7,9-12H,1,8H2,2H3,(H,24,25)
InChIKeyKHNUNRTYYWJLRW-UHFFFAOYSA-N
XLogP4.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide 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

Thz1
CID 73602827
Thz531
CID 118025540
2-((2-((2-Methyl-4-(1-propyl-1,2,5,6-tetrahydropyridin-3-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)benzamide
CID 25218593
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-2-(1H-indol-3-yl)-5-methyl-
CID 466843
Indole naphthyridinone 30
CID 6539897
N-[3-[[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino]phenyl]-4-[4-(dimethylamino)butanoylamino]benzamide
CID 119081415
2-((4,6-Dimethylpyridin-2-yl)amino)-N-(2-(2-methyl-1H-indol-3-yl)ethyl)pyrimidine-5-carboxamide
CID 145996528
1-(3-chloro-4-fluorophenyl)-9-(1H-pyrrolo[2,3-b]pyridin-5-yl)benzo[h][1,6]naphthyridin-2(1H)-one
CID 51351031
2-amino-5-(2-chloro-3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-N,N-dimethylbenzamide
CID 153307444
JAK1-IN-38a
CID 155757100
4-[[(2R,4R)-1-[(4-chlorophenyl)methyl]-2-methylpiperidin-4-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 162659181
9-Amino-2-cyclobutyl-5-pyrimidin-2-yl-2,3-dihydropyrrolo[3,4-b]quinolin-1-one
CID 25133381

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 135145478) is 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is C=CCN(C)C(=O)c1cnc2[nH]cc(-c3ccc4nccc(Cl)c4c3)c2c1.
What is the InChIKey of 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is KHNUNRTYYWJLRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c1-3-8-26(2)21(27)14-10-15-17(12-25-20(15)24-11-14)13-4-5-19-16(9-13)18(22)6-7-23-19/h3-7,9-12H,1,8H2,2H3,(H,24,25).
What are the key properties of 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroquinolin-6-yl)-N-methyl-N-prop-2-enyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 135145478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).