4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid

C16H17N3O3 — CID 4907485

IUPAC4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)CCC(=O)O)CC3
InChIInChI=1S/C16H17N3O3/c1-10-2-3-11-9-12-6-7-19(16(12)17-13(11)8-10)18-14(20)4-5-15(21)22/h2-3,8-9H,4-7H2,1H3,(H,18,20)(H,21,22)
InChIKeyRQCLOOWQOGOQJH-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.80
Rot. Bonds4

About 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid

4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid (PubChem CID 4907485) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid
PubChem CID4907485
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid
SMILESCc1ccc2cc3c(nc2c1)N(NC(=O)CCC(=O)O)CC3
InChIInChI=1S/C16H17N3O3/c1-10-2-3-11-9-12-6-7-19(16(12)17-13(11)8-10)18-14(20)4-5-15(21)22/h2-3,8-9H,4-7H2,1H3,(H,18,20)(H,21,22)
InChIKeyRQCLOOWQOGOQJH-UHFFFAOYSA-N
XLogP1.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)propanamide
CID 4911243
4-[2-(2-Methyl[1,2,4]triazolo[1,5-c]quinazolin-5-yl)hydrazino]-4-oxobutanoic acid
CID 4445910
N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)acetamide
CID 4908746
N-(7-methyl(2-pyrrolino[2,3-b]quinolinyl))(4-methylphenyl)carboxamide
CID 2991183
4-fluoro-N-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 4907303
2-fluoro-N-(7-methyl-2,3-dihydro-1H-pyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 4910752
4-oxo-4-[1-(trifluoromethyl)-4,9-dihydro-3H-pyridazino[3,4-b]indol-2-yl]butanoic acid
CID 10132091
(3S,4S)-1-(4,7-dimethylquinolin-2-yl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122064096
4-[(4-Methyl-2-piperidin-1-ylquinolin-6-yl)amino]-4-oxobutanoic acid
CID 4179802
4-[[7-Methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]amino]-4-oxobutanoic acid
CID 4900495
4-[2-[(3-Cyano-7-methylquinolin-2-yl)amino]ethylamino]-4-oxobutanoic acid
CID 43815429
1-Quinolin-2-ylpyrazolidin-3-one
CID 20485602

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid (CID 4907485) is 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid is Cc1ccc2cc3c(nc2c1)N(NC(=O)CCC(=O)O)CC3.
What is the InChIKey of 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid?
The InChIKey is RQCLOOWQOGOQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10-2-3-11-9-12-6-7-19(16(12)17-13(11)8-10)18-14(20)4-5-15(21)22/h2-3,8-9H,4-7H2,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid?
4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 4907485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).