6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

C17H23N3O3 — CID 70777457

IUPAC6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc2c(c1)C(C(=O)N1CCCN(C)CC1)CC(=O)N2
InChIInChI=1S/C17H23N3O3/c1-19-6-3-7-20(9-8-19)17(22)14-11-16(21)18-15-5-4-12(23-2)10-13(14)15/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,18,21)
InChIKeyWVGIAANOZCYIDB-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.29
Rot. Bonds2

About 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one

6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (PubChem CID 70777457) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
PubChem CID70777457
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
SMILESCOc1ccc2c(c1)C(C(=O)N1CCCN(C)CC1)CC(=O)N2
InChIInChI=1S/C17H23N3O3/c1-19-6-3-7-20(9-8-19)17(22)14-11-16(21)18-15-5-4-12(23-2)10-13(14)15/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,18,21)
InChIKeyWVGIAANOZCYIDB-UHFFFAOYSA-N
XLogP1.29
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 78835890
(4R)-6-methoxy-4-(4-pyridin-4-ylpiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 97110676
4-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 70749955
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
CID 97124904
(4S)-N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97127436
(4R)-N-(1,1-dioxothian-4-yl)-6-methoxy-N-methyl-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97146681
6-methoxy-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70758337
1'-(6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)spiro[2-oxa-6,7,8,13-tetrazatricyclo[14.2.2.16,9]henicosa-1(19),7,9(21),16(20),17-pentaene-11,4'-piperidine]-12-one
CID 131942407
(4S)-N-ethyl-6-methoxy-N-(oxan-4-ylmethyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97155952
(4S)-4-(4-tert-butylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 95578987
(4-methoxyphenyl) 4-methyl-1,4-diazepane-1-carboxylate
CID 89421681

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one (CID 70777457) is 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is COc1ccc2c(c1)C(C(=O)N1CCCN(C)CC1)CC(=O)N2.
What is the InChIKey of 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WVGIAANOZCYIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-19-6-3-7-20(9-8-19)17(22)14-11-16(21)18-15-5-4-12(23-2)10-13(14)15/h4-5,10,14H,3,6-9,11H2,1-2H3,(H,18,21).
What are the key properties of 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one?
6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-(4-methyl-1,4-diazepane-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 70777457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).