3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one

C18H22N2O3 — CID 167789919

IUPAC3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one
SMILESCOC1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CC1
InChIInChI=1S/C18H22N2O3/c1-12-5-3-7-14-16(12)19-11-15(17(14)21)18(22)20-9-4-6-13(23-2)8-10-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,19,21)
InChIKeyNPHFBVSUVWYERC-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.48
Rot. Bonds2

About 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one

3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one (PubChem CID 167789919) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one
PubChem CID167789919
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one
SMILESCOC1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CC1
InChIInChI=1S/C18H22N2O3/c1-12-5-3-7-14-16(12)19-11-15(17(14)21)18(22)20-9-4-6-13(23-2)8-10-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,19,21)
InChIKeyNPHFBVSUVWYERC-UHFFFAOYSA-N
XLogP2.48
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3aR,6aS)-2-(8-methyl-4-oxo-1H-quinoline-3-carbonyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylate
CID 99718425
3-[(3R,8aR)-3-methyl-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-2-carbonyl]-8-methyl-1H-quinolin-4-one
CID 137338971
3-(2-benzylmorpholine-4-carbonyl)-8-methyl-1H-quinolin-4-one
CID 56867974
8-methoxy-3-[(3R)-3-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-quinolin-4-one
CID 99787084
3-hydroxy-N-(8-methyl-4-oxo-1H-quinolin-3-yl)piperidine-1-carboxamide
CID 6490336
(3-hydroxy-2-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 82829162
N-(8-methyl-4-oxo-1H-quinolin-3-yl)pyrrolidine-1-carboxamide
CID 6484351
3-[(3R)-3-propoxypiperidine-1-carbonyl]-1H-quinolin-4-one
CID 95588730
(2-amino-6-methylphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 43372607
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-8-methoxy-1H-quinolin-4-one
CID 51043857
4-(4-methoxypiperidine-1-carbonyl)-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 121337676

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one?
The IUPAC name of 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one (CID 167789919) is 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one.
What is the SMILES notation for 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one?
The canonical SMILES for 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one is COC1CCCN(C(=O)c2c[nH]c3c(C)cccc3c2=O)CC1.
What is the InChIKey of 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one?
The InChIKey is NPHFBVSUVWYERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-5-3-7-14-16(12)19-11-15(17(14)21)18(22)20-9-4-6-13(23-2)8-10-20/h3,5,7,11,13H,4,6,8-10H2,1-2H3,(H,19,21).
What are the key properties of 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one?
3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one has a molecular weight of 314.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyazepane-1-carbonyl)-8-methyl-1H-quinolin-4-one is sourced from PubChem (CID 167789919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).