2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one

C18H20N2O — CID 155456104

IUPAC2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one
SMILES[H]/N=C(\C)C(=O)C1CCC(c2cccc3ncccc23)CC1
InChIInChI=1S/C18H20N2O/c1-12(19)18(21)14-9-7-13(8-10-14)15-4-2-6-17-16(15)5-3-11-20-17/h2-6,11,13-14,19H,7-10H2,1H3/b19-12+
InChIKeyWOVLFEHJOCRNOU-XDHOZWIPSA-N
MW280.37 g/mol
LogP4.12
Rot. Bonds3

About 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one

2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one (PubChem CID 155456104) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one.

Molecular Properties

Compound Name2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one
PubChem CID155456104
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one
SMILES[H]/N=C(\C)C(=O)C1CCC(c2cccc3ncccc23)CC1
InChIInChI=1S/C18H20N2O/c1-12(19)18(21)14-9-7-13(8-10-14)15-4-2-6-17-16(15)5-3-11-20-17/h2-6,11,13-14,19H,7-10H2,1H3/b19-12+
InChIKeyWOVLFEHJOCRNOU-XDHOZWIPSA-N
XLogP4.12
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-quinolin-5-ylcyclohexan-1-one
CID 83261338
5-(3-chlorocycloheptyl)quinoline
CID 81222338
tert-butyl N-[[5-cyclopropyl-6-(4-quinolin-5-ylcyclohexanecarbonyl)-2-pyridinyl]methyl]carbamate
CID 134381452
4-cyclopentylquinoline
CID 57273226
2-quinolin-5-ylcyclopentan-1-one
CID 81223830
[5-cyclopropyl-6-(4-quinolin-4-ylcyclohexanecarbonyl)-2-pyridinyl]methyl carbamate
CID 175211489
4-(2-amino-3-pyridinyl)cyclohexane-1-carboxylic acid
CID 142791265
N-methyl-2-quinolin-5-ylcyclohexan-1-amine
CID 81224622
6-(1-propan-2-ylpiperidin-4-yl)quinoline-5-carboxylic acid
CID 174844364
piperidin-3-yl(quinolin-5-yl)methanone
CID 116548060
N,N-bis(2-methylpropyl)-2-(4-quinolin-4-ylcyclohexyl)acetamide
CID 139302691
4-(2-fluoro-3-pyridinyl)cyclohexane-1-carbohydrazide
CID 58484991

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one?
The IUPAC name of 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one (CID 155456104) is 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one.
What is the SMILES notation for 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one?
The canonical SMILES for 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one is [H]/N=C(\C)C(=O)C1CCC(c2cccc3ncccc23)CC1.
What is the InChIKey of 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one?
The InChIKey is WOVLFEHJOCRNOU-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(19)18(21)14-9-7-13(8-10-14)15-4-2-6-17-16(15)5-3-11-20-17/h2-6,11,13-14,19H,7-10H2,1H3/b19-12+.
What are the key properties of 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one?
2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one has a molecular weight of 280.37 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-(4-quinolin-5-ylcyclohexyl)propan-1-one is sourced from PubChem (CID 155456104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).