4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide

C17H20N4O2 — CID 146084387

IUPAC4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccc2nc(C(=O)N3CCCN(C(N)=O)CC3)ccc2c1
InChIInChI=1S/C17H20N4O2/c1-12-3-5-14-13(11-12)4-6-15(19-14)16(22)20-7-2-8-21(10-9-20)17(18)23/h3-6,11H,2,7-10H2,1H3,(H2,18,23)
InChIKeyQVMRKJGYAMQKPU-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.77
Rot. Bonds1

About 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide

4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide (PubChem CID 146084387) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide
PubChem CID146084387
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide
SMILESCc1ccc2nc(C(=O)N3CCCN(C(N)=O)CC3)ccc2c1
InChIInChI=1S/C17H20N4O2/c1-12-3-5-14-13(11-12)4-6-15(19-14)16(22)20-7-2-8-21(10-9-20)17(18)23/h3-6,11H,2,7-10H2,1H3,(H2,18,23)
InChIKeyQVMRKJGYAMQKPU-UHFFFAOYSA-N
XLogP1.77
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-1-yl-(7-methylquinolin-3-yl)methanone
CID 166265226
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone
CID 2608459
(6-hydroxyquinolin-2-yl)-morpholin-4-ylmethanone
CID 146493098
1,4-diazepan-1-yl-(6-fluoroquinolin-2-yl)methanone
CID 110464458
[6-(1-propan-2-ylpiperidin-4-yl)oxyquinolin-2-yl]-pyrrolidin-1-ylmethanone
CID 11617590
(6-hydroxyquinolin-2-yl)-piperazin-1-ylmethanone
CID 150186981
(6-fluoroquinolin-2-yl)-(3-methylpiperidin-1-yl)methanone
CID 110464455
(4-methoxypiperidin-1-yl)-(6-methoxyquinolin-2-yl)methanone
CID 56810636
(6-fluoroquinolin-2-yl)-(4-methylpiperidin-1-yl)methanone
CID 110464452
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
(4-methyl-1,4-diazepan-1-yl)-(5-methyl-2-pyridinyl)methanone
CID 97240980

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide (CID 146084387) is 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide is Cc1ccc2nc(C(=O)N3CCCN(C(N)=O)CC3)ccc2c1.
What is the InChIKey of 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide?
The InChIKey is QVMRKJGYAMQKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-3-5-14-13(11-12)4-6-15(19-14)16(22)20-7-2-8-21(10-9-20)17(18)23/h3-6,11H,2,7-10H2,1H3,(H2,18,23).
What are the key properties of 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide?
4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylquinoline-2-carbonyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 146084387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).