1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one

C22H29N3O2 — CID 28809404

IUPAC1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(CC(C)C)CC3)c2c1
InChIInChI=1S/C22H29N3O2/c1-5-17-6-7-20-18(13-17)19(12-16(4)23-20)22(27)24-9-8-21(26)25(11-10-24)14-15(2)3/h6-7,12-13,15H,5,8-11,14H2,1-4H3
InChIKeySRBHZGGDHPCVEQ-UHFFFAOYSA-N
MW367.49 g/mol
LogP3.44
Rot. Bonds4

About 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one

1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one (PubChem CID 28809404) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one
PubChem CID28809404
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one
SMILESCCc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(CC(C)C)CC3)c2c1
InChIInChI=1S/C22H29N3O2/c1-5-17-6-7-20-18(13-17)19(12-16(4)23-20)22(27)24-9-8-21(26)25(11-10-24)14-15(2)3/h6-7,12-13,15H,5,8-11,14H2,1-4H3
InChIKeySRBHZGGDHPCVEQ-UHFFFAOYSA-N
XLogP3.44
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-ethyl-2-methylquinolin-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 70740250
(6-ethyl-2-methylquinolin-4-yl)-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]methanone
CID 118794611
1-(2-fluorobenzoyl)-4-(2-methylpropyl)-1,4-diazepan-5-one
CID 26345937
(6-ethyl-2-methylquinolin-4-yl)-(6-oxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 70742301
1-(2,3-difluorobenzoyl)-4-(2-methylpropyl)-1,4-diazepan-5-one
CID 26343640
(6-amino-2-methylquinolin-4-yl)-piperidin-1-ylmethanone
CID 110489432
azepan-1-yl-(6-fluoro-2-methylquinolin-4-yl)methanone
CID 4732287
(6-ethyl-2-methylquinolin-4-yl)-[(2R)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 95723621
6-ethyl-2-propan-2-ylquinoline-4-carboxylic acid
CID 5133447
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987
(4-methylpiperazin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 60634828
6-butyl-2-methylquinoline-4-carboxylic acid
CID 4572965

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one (CID 28809404) is 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one is CCc1ccc2nc(C)cc(C(=O)N3CCC(=O)N(CC(C)C)CC3)c2c1.
What is the InChIKey of 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one?
The InChIKey is SRBHZGGDHPCVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-5-17-6-7-20-18(13-17)19(12-16(4)23-20)22(27)24-9-8-21(26)25(11-10-24)14-15(2)3/h6-7,12-13,15H,5,8-11,14H2,1-4H3.
What are the key properties of 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one?
1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one has a molecular weight of 367.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-methylquinoline-4-carbonyl)-4-(2-methylpropyl)-1,4-diazepan-5-one is sourced from PubChem (CID 28809404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).