2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid

C20H17N3O4 — CID 18859318

IUPAC2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid
SMILESCOc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1C(=O)O)CC3
InChIInChI=1S/C20H17N3O4/c1-27-14-7-6-12-10-13-8-9-23(18(13)21-17(12)11-14)22-19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,25,26)
InChIKeyRTBMNRLCTUMFML-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.65
Rot. Bonds4

About 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid

2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid (PubChem CID 18859318) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid
PubChem CID18859318
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC Name2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid
SMILESCOc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1C(=O)O)CC3
InChIInChI=1S/C20H17N3O4/c1-27-14-7-6-12-10-13-8-9-23(18(13)21-17(12)11-14)22-19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,25,26)
InChIKeyRTBMNRLCTUMFML-UHFFFAOYSA-N
XLogP2.65
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)furan-2-carboxamide
CID 4906431
N-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-nitrobenzamide
CID 18859307
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(2-phenylethyl)benzamide
CID 18859211
N-(4-iodophenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859249
methyl 4-[[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzoyl]amino]benzoate
CID 18859254
methyl 4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-4-oxobutanoate
CID 110673152
(3,4-dimethoxyphenyl)-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)methanone
CID 20996440
4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 18859300
[4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)phenyl]-piperidin-1-ylmethanone
CID 18859208
N-(2,5-dimethylphenyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859194
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859173
N-(5-chloro-2-pyridinyl)-4-(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)benzamide
CID 18859231

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid (CID 18859318) is 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid is COc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1C(=O)O)CC3.
What is the InChIKey of 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid?
The InChIKey is RTBMNRLCTUMFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-27-14-7-6-12-10-13-8-9-23(18(13)21-17(12)11-14)22-19(24)15-4-2-3-5-16(15)20(25)26/h2-7,10-11H,8-9H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid?
2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid has a molecular weight of 363.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methoxy-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)carbamoyl]benzoic acid is sourced from PubChem (CID 18859318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).