2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid

C17H19FN2O3 — CID 119192837

IUPAC2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C17H19FN2O3/c1-10(2)8-20(9-16(21)22)17(23)14-6-12-4-5-13(18)7-15(12)19-11(14)3/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKeyLWFKCGLAJRBELE-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.87
Rot. Bonds5

About 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 119192837) has the molecular formula C17H19FN2O3 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID119192837
Molecular FormulaC17H19FN2O3
Molecular Weight318.35 g/mol
Exact Mass318.14
IUPAC Name2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(CC(=O)O)CC(C)C
InChIInChI=1S/C17H19FN2O3/c1-10(2)8-20(9-16(21)22)17(23)14-6-12-4-5-13(18)7-15(12)19-11(14)3/h4-7,10H,8-9H2,1-3H3,(H,21,22)
InChIKeyLWFKCGLAJRBELE-UHFFFAOYSA-N
XLogP2.87
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
3-[3-ethoxypropyl-(7-fluoro-2-methylquinoline-3-carbonyl)amino]-2-methylpropanoic acid
CID 119208299
methyl 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-propan-2-ylamino]acetate
CID 78877927
4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
7-fluoro-2-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylquinoline-3-carboxamide
CID 31978902
3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209718
N-ethyl-7-fluoro-2-methyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 46550538
7-fluoro-N-[1-(furan-2-yl)ethyl]-N,2-dimethylquinoline-3-carboxamide
CID 78852957
2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
2-[2-methylpropyl-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]acetic acid
CID 120517223
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857

Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 119192837) is 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid is Cc1nc2cc(F)ccc2cc1C(=O)N(CC(=O)O)CC(C)C.
What is the InChIKey of 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is LWFKCGLAJRBELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3/c1-10(2)8-20(9-16(21)22)17(23)14-6-12-4-5-13(18)7-15(12)19-11(14)3/h4-7,10H,8-9H2,1-3H3,(H,21,22).
What are the key properties of 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 318.35 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 119192837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).