N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide

C14H16FN3O2 — CID 119582582

IUPACN-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H16FN3O2/c1-8(7-16)18(2)14(20)11-6-13(19)17-12-5-9(15)3-4-10(11)12/h3-6,8H,7,16H2,1-2H3,(H,17,19)
InChIKeyCCFSQVJEWWSSPD-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.09
Rot. Bonds3

About N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide

N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide (PubChem CID 119582582) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
PubChem CID119582582
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC NameN-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12
InChIInChI=1S/C14H16FN3O2/c1-8(7-16)18(2)14(20)11-6-13(19)17-12-5-9(15)3-4-10(11)12/h3-6,8H,7,16H2,1-2H3,(H,17,19)
InChIKeyCCFSQVJEWWSSPD-UHFFFAOYSA-N
XLogP1.09
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide (CID 119582582) is N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide is CC(CN)N(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12.
What is the InChIKey of N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
The InChIKey is CCFSQVJEWWSSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-8(7-16)18(2)14(20)11-6-13(19)17-12-5-9(15)3-4-10(11)12/h3-6,8H,7,16H2,1-2H3,(H,17,19).
What are the key properties of N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide?
N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-7-fluoro-N-methyl-2-oxo-1H-quinoline-4-carboxamide is sourced from PubChem (CID 119582582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).