N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C17H24N2O2 — CID 106135432

IUPACN-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H24N2O2/c20-15-6-3-12(4-7-15)11-19-17(21)14-5-8-16-13(10-14)2-1-9-18-16/h5,8,10,12,15,18,20H,1-4,6-7,9,11H2,(H,19,21)
InChIKeyFROQOYSNJIMVEX-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.33
Rot. Bonds3

About N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 106135432) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID106135432
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C17H24N2O2/c20-15-6-3-12(4-7-15)11-19-17(21)14-5-8-16-13(10-14)2-1-9-18-16/h5,8,10,12,15,18,20H,1-4,6-7,9,11H2,(H,19,21)
InChIKeyFROQOYSNJIMVEX-UHFFFAOYSA-N
XLogP2.33
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61024481
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325638
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43696101
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 107389176
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041
N-(cyclopropylmethyl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60946268
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614995
N-[3-(dimethylamino)-3-oxopropyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 60926593
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(1H-pyrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61284513

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 106135432) is N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NCC1CCC(O)CC1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is FROQOYSNJIMVEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-6-3-12(4-7-15)11-19-17(21)14-5-8-16-13(10-14)2-1-9-18-16/h5,8,10,12,15,18,20H,1-4,6-7,9,11H2,(H,19,21).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 106135432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).