N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C15H16FN3O3 — CID 18163943

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC(=O)NC2CC2)c2ccc(F)cc2N1
InChIInChI=1S/C15H16FN3O3/c16-8-1-4-10-11(6-13(20)19-12(10)5-8)15(22)17-7-14(21)18-9-2-3-9/h1,4-5,9,11H,2-3,6-7H2,(H,17,22)(H,18,21)(H,19,20)
InChIKeyGOSCUWUAEFWVRV-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.65
Rot. Bonds4

About N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 18163943) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID18163943
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCC(=O)NC2CC2)c2ccc(F)cc2N1
InChIInChI=1S/C15H16FN3O3/c16-8-1-4-10-11(6-13(20)19-12(10)5-8)15(22)17-7-14(21)18-9-2-3-9/h1,4-5,9,11H,2-3,6-7H2,(H,17,22)(H,18,21)(H,19,20)
InChIKeyGOSCUWUAEFWVRV-UHFFFAOYSA-N
XLogP0.65
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 18163943) is N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCC(=O)NC2CC2)c2ccc(F)cc2N1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GOSCUWUAEFWVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c16-8-1-4-10-11(6-13(20)19-12(10)5-8)15(22)17-7-14(21)18-9-2-3-9/h1,4-5,9,11H,2-3,6-7H2,(H,17,22)(H,18,21)(H,19,20).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.65, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 18163943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).