N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide

C19H24N2O2 — CID 111459728

IUPACN-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCC3CCCC(O)C3)c(C)nc2c1
InChIInChI=1S/C19H24N2O2/c1-12-6-7-15-10-17(13(2)21-18(15)8-12)19(23)20-11-14-4-3-5-16(22)9-14/h6-8,10,14,16,22H,3-5,9,11H2,1-2H3,(H,20,23)
InChIKeyYOEUZXRSAHZMFO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.13
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide

N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide (PubChem CID 111459728) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide
PubChem CID111459728
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide
SMILESCc1ccc2cc(C(=O)NCC3CCCC(O)C3)c(C)nc2c1
InChIInChI=1S/C19H24N2O2/c1-12-6-7-15-10-17(13(2)21-18(15)8-12)19(23)20-11-14-4-3-5-16(22)9-14/h6-8,10,14,16,22H,3-5,9,11H2,1-2H3,(H,20,23)
InChIKeyYOEUZXRSAHZMFO-UHFFFAOYSA-N
XLogP3.13
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(3-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 103733972
2-hydroxy-N-[(3-hydroxycyclopentyl)methyl]-5-methylbenzamide
CID 103279879
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[(3-hydroxycyclohexyl)methyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 111460181
N-[(3-hydroxycyclohexyl)methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 111460192
5-amino-N-[(3-hydroxycyclohexyl)methyl]-2,4-dimethylbenzamide
CID 106118990
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
3-bromo-N-[(3-hydroxycyclohexyl)methyl]-2-methylbenzamide
CID 103707638
N-(4-amino-4-oxobutyl)-2,7-dimethylquinoline-3-carboxamide
CID 56812703
N-[(3-hydroxycyclohexyl)methyl]-4-methoxybenzamide
CID 103691139
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
4-chloro-2-fluoro-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691203

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide (CID 111459728) is N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide is Cc1ccc2cc(C(=O)NCC3CCCC(O)C3)c(C)nc2c1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide?
The InChIKey is YOEUZXRSAHZMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-12-6-7-15-10-17(13(2)21-18(15)8-12)19(23)20-11-14-4-3-5-16(22)9-14/h6-8,10,14,16,22H,3-5,9,11H2,1-2H3,(H,20,23).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide has a molecular weight of 312.41 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2,7-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 111459728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).