N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide

C21H26N2O — CID 55469564

IUPACN-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCCCCC1
InChIInChI=1S/C21H26N2O/c1-23(16-8-4-2-3-5-9-16)21(24)18-14-20(15-12-13-15)22-19-11-7-6-10-17(18)19/h6-7,10-11,14-16H,2-5,8-9,12-13H2,1H3
InChIKeyUXDXVOULVPOVHI-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.91
Rot. Bonds3

About N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide

N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide (PubChem CID 55469564) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
PubChem CID55469564
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCCCCC1
InChIInChI=1S/C21H26N2O/c1-23(16-8-4-2-3-5-9-16)21(24)18-14-20(15-12-13-15)22-19-11-7-6-10-17(18)19/h6-7,10-11,14-16H,2-5,8-9,12-13H2,1H3
InChIKeyUXDXVOULVPOVHI-UHFFFAOYSA-N
XLogP4.91
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-cyclopropylquinoline-4-carbonyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539985
2-chloro-N-cyclobutyl-N-methylquinoline-4-carboxamide
CID 115649170
N-cyclopentyl-N-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 51268285
2-amino-N-cyclopropyl-N-methylquinoline-4-carboxamide
CID 62156130
N,N-dicyclohexyl-2-phenylquinoline-4-carboxamide
CID 3554949
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-N-methylquinoline-4-carboxamide;dihydrochloride
CID 119654354
2-cyclopropyl-N-piperidin-4-yl-N-propylquinoline-4-carboxamide;dihydrochloride
CID 119824385
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclododecyl-4-methylquinoline
CID 10566873
2-cyclohexyl-4-methylquinoline
CID 175925044
2-cyclopropyl-N-methyl-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoline-4-carboxamide
CID 119062230

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide?
The IUPAC name of N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide (CID 55469564) is N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide is CN(C(=O)c1cc(C2CC2)nc2ccccc12)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide?
The InChIKey is UXDXVOULVPOVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-23(16-8-4-2-3-5-9-16)21(24)18-14-20(15-12-13-15)22-19-11-7-6-10-17(18)19/h6-7,10-11,14-16H,2-5,8-9,12-13H2,1H3.
What are the key properties of N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide?
N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-cyclopropyl-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 55469564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).