5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid

C20H22N2O4 — CID 122111138

IUPAC5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(C(C)C)CN2C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C20H22N2O4/c1-12(2)15-8-14-9-16(26-3)5-7-18(14)22(11-15)19(23)13-4-6-17(20(24)25)21-10-13/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,24,25)
InChIKeyBRBCGXHFMQXHNR-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.26
Rot. Bonds4

About 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid

5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid (PubChem CID 122111138) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
PubChem CID122111138
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
SMILESCOc1ccc2c(c1)CC(C(C)C)CN2C(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C20H22N2O4/c1-12(2)15-8-14-9-16(26-3)5-7-18(14)22(11-15)19(23)13-4-6-17(20(24)25)21-10-13/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,24,25)
InChIKeyBRBCGXHFMQXHNR-UHFFFAOYSA-N
XLogP3.26
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid with MolForge

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Related Compounds

(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 18132704
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
2,3-dihydroindol-1-yl-[6-[1-(4-methoxyphenyl)ethyl-methylamino]-3-pyridinyl]methanone
CID 133350836
5-[(4-methoxyphenyl)sulfonylcarbamoyl]pyridine-2-carboxylic acid
CID 19928409
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
(7-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyridin-3-ylmethanone
CID 110662984
5-[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
CID 125145135
furan-2-yl-(6-methoxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 110663052

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
The IUPAC name of 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid (CID 122111138) is 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid is COc1ccc2c(c1)CC(C(C)C)CN2C(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
The InChIKey is BRBCGXHFMQXHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-12(2)15-8-14-9-16(26-3)5-7-18(14)22(11-15)19(23)13-4-6-17(20(24)25)21-10-13/h4-7,9-10,12,15H,8,11H2,1-3H3,(H,24,25).
What are the key properties of 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid?
5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-3-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 122111138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).