N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide

C19H22N2O2 — CID 17489789

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCCC3=CCCCC3)ccc2c1
InChIInChI=1S/C19H22N2O2/c1-23-16-8-10-17-15(13-16)7-9-18(21-17)19(22)20-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,20,22)
InChIKeyBXMUONIYZFUBAQ-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.86
Rot. Bonds5

About N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide (PubChem CID 17489789) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
PubChem CID17489789
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide
SMILESCOc1ccc2nc(C(=O)NCCC3=CCCCC3)ccc2c1
InChIInChI=1S/C19H22N2O2/c1-23-16-8-10-17-15(13-16)7-9-18(21-17)19(22)20-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,20,22)
InChIKeyBXMUONIYZFUBAQ-UHFFFAOYSA-N
XLogP3.86
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carboxamide
CID 109183647
N-[2-(cyclohexen-1-yl)ethyl]-2-[2-(4-methoxyphenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109323407
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109364446
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
CID 109183632
N-[2-(cyclohexen-1-yl)ethyl]-N'-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44998295
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,5-dimethoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109323462
N-[2-(cyclopenten-1-yl)ethyl]-2-hydroxy-5-methoxybenzamide
CID 103842410
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyridazine-3-carboxamide
CID 109113542
(E)-N-[2-(cyclohexen-1-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 798471
6-[2-(cyclohexen-1-yl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4-carboxamide
CID 109342549
(2R)-N-[2-(cyclohexen-1-yl)ethyl]-2-(4-methoxyphenoxy)propanamide
CID 925253
N-[2-(cyclohexen-1-yl)ethyl]-N'-[(4-methoxyphenyl)methyl]propanediamide
CID 108942894

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide (CID 17489789) is N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide is COc1ccc2nc(C(=O)NCCC3=CCCCC3)ccc2c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide?
The InChIKey is BXMUONIYZFUBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-23-16-8-10-17-15(13-16)7-9-18(21-17)19(22)20-12-11-14-5-3-2-4-6-14/h5,7-10,13H,2-4,6,11-12H2,1H3,(H,20,22).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-methoxyquinoline-2-carboxamide is sourced from PubChem (CID 17489789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).