cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid

C23H26N2O2 — CID 19715596

IUPACcyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.NC1CCCCC1
InChIInChI=1S/C17H13NO2.C6H13N/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;7-6-4-2-1-3-5-6/h2-10H,1H3,(H,19,20);6H,1-5,7H2
InChIKeyACVWZHACEAFOGW-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.19
Rot. Bonds2

About cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid

cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid (PubChem CID 19715596) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid.

Molecular Properties

Compound Namecyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
PubChem CID19715596
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namecyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid
SMILESCc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.NC1CCCCC1
InChIInChI=1S/C17H13NO2.C6H13N/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;7-6-4-2-1-3-5-6/h2-10H,1H3,(H,19,20);6H,1-5,7H2
InChIKeyACVWZHACEAFOGW-UHFFFAOYSA-N
XLogP5.19
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
N-cyclooctyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 4122728
6-cyclobutyl-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 122539386
2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
N,N-dicyclohexyl-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 3348119
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006
3-methyl-2-phenylquinoline-4-carbonyl azide
CID 139234731
(3-methyl-2-phenylquinolin-4-yl)-morpholin-4-ylmethanone
CID 868745
N-tert-butyl-3-methyl-2-phenylquinoline-4-carboxamide
CID 3639952
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 2631739
8-fluoro-3-methyl-2-phenylquinoline-4-carboxylic acid
CID 45157374

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid?
The IUPAC name of cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid (CID 19715596) is cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid.
What is the SMILES notation for cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid?
The canonical SMILES for cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid is Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid?
The InChIKey is ACVWZHACEAFOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2.C6H13N/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12;7-6-4-2-1-3-5-6/h2-10H,1H3,(H,19,20);6H,1-5,7H2.
What are the key properties of cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid?
cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid has a molecular weight of 362.47 g/mol, XLogP of 5.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;3-methyl-2-phenylquinoline-4-carboxylic acid is sourced from PubChem (CID 19715596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).