(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone

C20H25N3O2 — CID 136553897

IUPAC(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CC3)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C20H25N3O2/c1-14-12-22(15-7-8-15)9-10-23(13-14)20(24)17-11-19(25-2)21-18-6-4-3-5-16(17)18/h3-6,11,14-15H,7-10,12-13H2,1-2H3
InChIKeyKJBYVQMVXDJSHE-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.80
Rot. Bonds3

About (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone

(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone (PubChem CID 136553897) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone.

Molecular Properties

Compound Name(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
PubChem CID136553897
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
SMILESCOc1cc(C(=O)N2CCN(C3CC3)CC(C)C2)c2ccccc2n1
InChIInChI=1S/C20H25N3O2/c1-14-12-22(15-7-8-15)9-10-23(13-14)20(24)17-11-19(25-2)21-18-6-4-3-5-16(17)18/h3-6,11,14-15H,7-10,12-13H2,1-2H3
InChIKeyKJBYVQMVXDJSHE-UHFFFAOYSA-N
XLogP2.80
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methoxyquinolin-4-yl)-[4-(oxetan-3-yl)piperazin-1-yl]methanone
CID 177077672
(2-methoxyquinolin-4-yl)-[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]methanone
CID 45243447
[(4S,9aR)-4-cyclopropyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]-(2-methoxyquinolin-4-yl)methanone
CID 134701449
[(3R,4R)-3-cyclopropyl-3-hydroxy-4-methylpyrrolidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 70746098
(2-methoxyquinolin-4-yl)-(3-pyridin-4-ylazetidin-1-yl)methanone
CID 119068199
[4-[(3S)-4-[(3,4-dichlorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 59265723
[4-(dimethylamino)azepan-1-yl]-(2-methoxyquinolin-4-yl)methanone
CID 56887327
2-(2-methoxyquinoline-4-carbonyl)-8-methyl-3,4,7,9a-tetrahydro-1H-pyrazino[1,2-a]pyrazine-6,9-dione
CID 50973940
(4-ethyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone
CID 136553583
2-[4-(2-methoxyquinoline-4-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 136553678
(2-methoxyquinolin-4-yl)-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]methanone
CID 135105873
(3,5-dimethylpiperidin-1-yl)-(2-methylquinolin-4-yl)methanone
CID 51161951

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
The IUPAC name of (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone (CID 136553897) is (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone.
What is the SMILES notation for (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
The canonical SMILES for (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone is COc1cc(C(=O)N2CCN(C3CC3)CC(C)C2)c2ccccc2n1.
What is the InChIKey of (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
The InChIKey is KJBYVQMVXDJSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-12-22(15-7-8-15)9-10-23(13-14)20(24)17-11-19(25-2)21-18-6-4-3-5-16(17)18/h3-6,11,14-15H,7-10,12-13H2,1-2H3.
What are the key properties of (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone?
(4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopropyl-6-methyl-1,4-diazepan-1-yl)-(2-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 136553897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).