7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

C20H18FN3O2 — CID 167850056

IUPAC7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(NCc3cc4ccc(F)cc4[nH]c3=O)ccc2N1
InChIInChI=1S/C20H18FN3O2/c21-15-5-4-13-8-14(20(26)24-18(13)10-15)11-22-16-6-7-17-12(9-16)2-1-3-19(25)23-17/h4-10,22H,1-3,11H2,(H,23,25)(H,24,26)
InChIKeyDTVJPRZUTNOCBD-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.55
Rot. Bonds3

About 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one

7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 167850056) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID167850056
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESO=C1CCCc2cc(NCc3cc4ccc(F)cc4[nH]c3=O)ccc2N1
InChIInChI=1S/C20H18FN3O2/c21-15-5-4-13-8-14(20(26)24-18(13)10-15)11-22-16-6-7-17-12(9-16)2-1-3-19(25)23-17/h4-10,22H,1-3,11H2,(H,23,25)(H,24,26)
InChIKeyDTVJPRZUTNOCBD-UHFFFAOYSA-N
XLogP3.55
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

N-[2-(azepane-1-carbonyl)phenyl]-4-fluorobenzamide
CID 579553
3-phenyl-N-{2-[N-benzylcarbamoyl]phenyl}propanamide
CID 1277922
6-[Benzyl(2,2,2-trifluoroethyl)amino]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
CID 9952803
RY796
CID 71719898
(1S,6R)-3-[(3-carbamoylphenyl)carbamoyl]-6-(2,4,5-trifluorophenyl)cyclohex-3-en-1-aminium; 2,2,2-trifluoroacetate
CID 91895875
N-cycloheptyl-1-[(4-fluorophenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 46911790
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-[(4-fluorobenzoyl)amino]-2-methylbenzamide
CID 168283392
3-benzamido-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 1302375
2-Hydroxy-quinoline-4-carboxylic acid m-tolylamide
CID 3153362
7-Methyl-3-[(2-o-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176400
7-Methyl-3-[(2-m-tolyl-ethylamino)-methyl]-1H-quinolin-2-one
CID 3176403
N-[(3-fluorophenyl)methyl]-N-methyl-2-oxo-1H-quinoline-4-carboxamide
CID 4883815

Frequently Asked Questions

What is the IUPAC name of 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 167850056) is 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is O=C1CCCc2cc(NCc3cc4ccc(F)cc4[nH]c3=O)ccc2N1.
What is the InChIKey of 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is DTVJPRZUTNOCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-15-5-4-13-8-14(20(26)24-18(13)10-15)11-22-16-6-7-17-12(9-16)2-1-3-19(25)23-17/h4-10,22H,1-3,11H2,(H,23,25)(H,24,26).
What are the key properties of 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 351.38 g/mol, XLogP of 3.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(7-fluoro-2-oxo-1H-quinolin-3-yl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 167850056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).