4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one

C22H22FN3O2 — CID 36856446

IUPAC4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H22FN3O2/c23-17-8-6-16(7-9-17)15-25-10-3-11-26(13-12-25)22(28)19-14-21(27)24-20-5-2-1-4-18(19)20/h1-2,4-9,14H,3,10-13,15H2,(H,24,27)
InChIKeyLZTZGGMPTYEUOF-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.02
Rot. Bonds3

About 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one

4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one (PubChem CID 36856446) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
PubChem CID36856446
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H22FN3O2/c23-17-8-6-16(7-9-17)15-25-10-3-11-26(13-12-25)22(28)19-14-21(27)24-20-5-2-1-4-18(19)20/h1-2,4-9,14H,3,10-13,15H2,(H,24,27)
InChIKeyLZTZGGMPTYEUOF-UHFFFAOYSA-N
XLogP3.02
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[(3-chlorophenyl)methyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 31280079
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
2-[2-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]benzonitrile
CID 38045798
(5-chloro-2-hydroxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 37015958
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[2-(trifluoromethylsulfanyl)phenyl]methanone
CID 55634871
[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 38045305
(2-amino-5-hydroxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone;hydrochloride
CID 154914602
[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl] 2-oxo-1H-quinoline-4-carboxylate
CID 42915341
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbonyl]-1H-quinolin-2-one
CID 13369901
4-[(4-fluorophenyl)methyl]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]-1,4-diazepane-1-carboxamide
CID 86882888
(3-aminophenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838903
4-[4-[(1S,2R)-2-hydroxycyclopentyl]piperazine-1-carbonyl]-1H-quinolin-2-one
CID 95759127

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one?
The IUPAC name of 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one (CID 36856446) is 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one?
The canonical SMILES for 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one?
The InChIKey is LZTZGGMPTYEUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c23-17-8-6-16(7-9-17)15-25-10-3-11-26(13-12-25)22(28)19-14-21(27)24-20-5-2-1-4-18(19)20/h1-2,4-9,14H,3,10-13,15H2,(H,24,27).
What are the key properties of 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one?
4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one has a molecular weight of 379.44 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-1H-quinolin-2-one is sourced from PubChem (CID 36856446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).