1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid

C16H17FN2O3 — CID 122052611

IUPAC1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1cc2c(N3CCC(C)(C(=O)O)C3)ccnc2cc1F
InChIInChI=1S/C16H17FN2O3/c1-16(15(20)21)4-6-19(9-16)13-3-5-18-12-8-11(17)14(22-2)7-10(12)13/h3,5,7-8H,4,6,9H2,1-2H3,(H,20,21)
InChIKeyXJTFEYNVYLURKG-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.68
Rot. Bonds3

About 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid

1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 122052611) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
PubChem CID122052611
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC Name1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
SMILESCOc1cc2c(N3CCC(C)(C(=O)O)C3)ccnc2cc1F
InChIInChI=1S/C16H17FN2O3/c1-16(15(20)21)4-6-19(9-16)13-3-5-18-12-8-11(17)14(22-2)7-10(12)13/h3,5,7-8H,4,6,9H2,1-2H3,(H,20,21)
InChIKeyXJTFEYNVYLURKG-UHFFFAOYSA-N
XLogP2.68
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-fluoro-6-methoxyisoquinolin-1-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052635
8-(6-fluoro-7-methoxyquinolin-4-yl)-2-methyl-2,8-diazaspiro[4.5]decane
CID 157040955
tert-butyl 8-(6-fluoro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 157041209
1-(6,7-dimethoxyquinolin-4-yl)piperidine-4-carboxylic acid
CID 155125461
1-(3,4-dimethoxyphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013232
1-(6,7-difluoroquinoxalin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052427
7-fluoro-6-methoxy-4-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]quinoline
CID 166222667
1-[(3-fluoro-4-methoxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149656
1-(8-fluoro-2-methylquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052496
4-(6,7-dimethoxyquinolin-4-yl)-1,4-diazepane-1-carboxamide
CID 167970486
1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
1-(2-carbamoyl-3-fluorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 79512519

Frequently Asked Questions

What is the IUPAC name of 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid (CID 122052611) is 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid is COc1cc2c(N3CCC(C)(C(=O)O)C3)ccnc2cc1F.
What is the InChIKey of 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is XJTFEYNVYLURKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O3/c1-16(15(20)21)4-6-19(9-16)13-3-5-18-12-8-11(17)14(22-2)7-10(12)13/h3,5,7-8H,4,6,9H2,1-2H3,(H,20,21).
What are the key properties of 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid?
1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 304.32 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-fluoro-6-methoxyquinolin-4-yl)-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122052611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).