3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

C19H21FN2O4 — CID 119209718

IUPAC3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(CCC(=O)O)CC1CCCO1
InChIInChI=1S/C19H21FN2O4/c1-12-16(9-13-4-5-14(20)10-17(13)21-12)19(25)22(7-6-18(23)24)11-15-3-2-8-26-15/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,23,24)
InChIKeyVQTFVHHODDPARJ-UHFFFAOYSA-N
MW360.39 g/mol
LogP2.78
Rot. Bonds6

About 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid

3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (PubChem CID 119209718) has the molecular formula C19H21FN2O4 and a molecular weight of 360.39 g/mol. Its IUPAC name is 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
PubChem CID119209718
Molecular FormulaC19H21FN2O4
Molecular Weight360.39 g/mol
Exact Mass360.15
IUPAC Name3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
SMILESCc1nc2cc(F)ccc2cc1C(=O)N(CCC(=O)O)CC1CCCO1
InChIInChI=1S/C19H21FN2O4/c1-12-16(9-13-4-5-14(20)10-17(13)21-12)19(25)22(7-6-18(23)24)11-15-3-2-8-26-15/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,23,24)
InChIKeyVQTFVHHODDPARJ-UHFFFAOYSA-N
XLogP2.78
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,7-dimethylquinoline-3-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124699136
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124693343
3-[(2-methylbenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 82324599
3-[(3-fluorobenzoyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 95540081
3-[(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209828
3-[(2,5-dimethylfuran-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 4104784
3-[(6-methylpyridine-3-carbonyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124698719
3-[(3-methylthiophene-2-carbonyl)-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124697893
2-[(7-fluoro-2-methylquinoline-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 119192837
3-[(3,5-dimethoxy-4-methylbenzoyl)-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154089
3-[[2-methyl-4-(1,2,4-triazol-1-yl)benzoyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125153935
3-[(3,4-dimethoxybenzoyl)-(oxolan-2-ylmethyl)amino]propanoic acid
CID 119209792

Frequently Asked Questions

What is the IUPAC name of 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid (CID 119209718) is 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is Cc1nc2cc(F)ccc2cc1C(=O)N(CCC(=O)O)CC1CCCO1.
What is the InChIKey of 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
The InChIKey is VQTFVHHODDPARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-12-16(9-13-4-5-14(20)10-17(13)21-12)19(25)22(7-6-18(23)24)11-15-3-2-8-26-15/h4-5,9-10,15H,2-3,6-8,11H2,1H3,(H,23,24).
What are the key properties of 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid?
3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid has a molecular weight of 360.39 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-fluoro-2-methylquinoline-3-carbonyl)-(oxolan-2-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 119209718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).