4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride

C15H17ClFN3O2 — CID 119415623

IUPAC4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCNCC1
InChIInChI=1S/C15H16FN3O2.ClH/c16-10-2-3-11-12(9-14(20)18-13(11)8-10)15(21)19-6-1-4-17-5-7-19;/h2-3,8-9,17H,1,4-7H2,(H,18,20);1H
InChIKeyTVCRCYZZJHILEM-UHFFFAOYSA-N
MW325.77 g/mol
LogP1.52
Rot. Bonds1

About 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride

4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride (PubChem CID 119415623) has the molecular formula C15H17ClFN3O2 and a molecular weight of 325.77 g/mol. Its IUPAC name is 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride.

Molecular Properties

Compound Name4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
PubChem CID119415623
Molecular FormulaC15H17ClFN3O2
Molecular Weight325.77 g/mol
Exact Mass325.10
IUPAC Name4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
SMILESCl.O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCNCC1
InChIInChI=1S/C15H16FN3O2.ClH/c16-10-2-3-11-12(9-14(20)18-13(11)8-10)15(21)19-6-1-4-17-5-7-19;/h2-3,8-9,17H,1,4-7H2,(H,18,20);1H
InChIKeyTVCRCYZZJHILEM-UHFFFAOYSA-N
XLogP1.52
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.77
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
(3S)-1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 119174191
4-(1,4-diazepane-1-carbonyl)-6-nitro-1H-quinolin-2-one;hydrochloride
CID 119417546
7-fluoro-4-[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-1H-quinolin-2-one
CID 95716840
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone;hydrochloride
CID 119415115
(2-amino-5-fluorophenyl)-(1,4-diazepan-1-yl)methanone
CID 43535352
1,4-diazepan-1-yl-[2-fluoro-4-(4-fluorophenyl)phenyl]methanone
CID 119415116
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride
CID 120814282
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
N-[[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)piperidin-4-yl]methyl]cyclopentanecarboxamide
CID 131941647
7-fluoro-4-[3-(2-methylphenyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 166364007
2-fluoro-2-[1-(7-fluoro-2-oxo-1H-quinoline-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 154868364

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
The IUPAC name of 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride (CID 119415623) is 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride.
What is the SMILES notation for 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
The canonical SMILES for 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride is Cl.O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCNCC1.
What is the InChIKey of 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
The InChIKey is TVCRCYZZJHILEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2.ClH/c16-10-2-3-11-12(9-14(20)18-13(11)8-10)15(21)19-6-1-4-17-5-7-19;/h2-3,8-9,17H,1,4-7H2,(H,18,20);1H.
What are the key properties of 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride?
4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride has a molecular weight of 325.77 g/mol, XLogP of 1.52, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepane-1-carbonyl)-7-fluoro-1H-quinolin-2-one;hydrochloride is sourced from PubChem (CID 119415623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).