1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one

C16H17N3O2 — CID 62045092

IUPAC1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
SMILESCc1cc(C(=O)N2CCNC(=O)CC2)c2ccccc2n1
InChIInChI=1S/C16H17N3O2/c1-11-10-13(12-4-2-3-5-14(12)18-11)16(21)19-8-6-15(20)17-7-9-19/h2-5,10H,6-9H2,1H3,(H,17,20)
InChIKeyDZZYVGINKCEOEO-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.51
Rot. Bonds1

About 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one

1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one (PubChem CID 62045092) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
PubChem CID62045092
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one
SMILESCc1cc(C(=O)N2CCNC(=O)CC2)c2ccccc2n1
InChIInChI=1S/C16H17N3O2/c1-11-10-13(12-4-2-3-5-14(12)18-11)16(21)19-8-6-15(20)17-7-9-19/h2-5,10H,6-9H2,1H3,(H,17,20)
InChIKeyDZZYVGINKCEOEO-UHFFFAOYSA-N
XLogP1.51
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
1-(4-aminoquinoline-2-carbonyl)-1,4-diazepan-5-one
CID 63375057
1-(2-methylquinoline-4-carbonyl)piperidine-4-carboxylic acid
CID 24698090
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 27535973
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951
(3-hydroxyazetidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 63105082
(2-methylquinolin-4-yl)-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone
CID 9254247
1-(1H-indazole-3-carbonyl)-1,4-diazepan-5-one
CID 62045249
1-(1-benzothiophene-3-carbonyl)-1,4-diazepan-5-one
CID 55153408
[(3R)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119412550
[(3S)-3-aminopyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 119934500
1-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrole-3-carbonyl]-1,4-diazepan-5-one
CID 95589832

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one (CID 62045092) is 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one is Cc1cc(C(=O)N2CCNC(=O)CC2)c2ccccc2n1.
What is the InChIKey of 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one?
The InChIKey is DZZYVGINKCEOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-10-13(12-4-2-3-5-14(12)18-11)16(21)19-8-6-15(20)17-7-9-19/h2-5,10H,6-9H2,1H3,(H,17,20).
What are the key properties of 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one?
1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one has a molecular weight of 283.33 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinoline-4-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 62045092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).