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

C17H24N2O2 — CID 106135423

IUPACN-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)C1CNc2ccccc2C1
InChIInChI=1S/C17H24N2O2/c20-15-7-5-12(6-8-15)10-19-17(21)14-9-13-3-1-2-4-16(13)18-11-14/h1-4,12,14-15,18,20H,5-11H2,(H,19,21)
InChIKeyBQRBCAIUPVYVPV-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.94
Rot. Bonds3

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

N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106135423) 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-3-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106135423
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NCC1CCC(O)CC1)C1CNc2ccccc2C1
InChIInChI=1S/C17H24N2O2/c20-15-7-5-12(6-8-15)10-19-17(21)14-9-13-3-1-2-4-16(13)18-11-14/h1-4,12,14-15,18,20H,5-11H2,(H,19,21)
InChIKeyBQRBCAIUPVYVPV-UHFFFAOYSA-N
XLogP1.94
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 ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-[(4-hydroxycyclohexyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106122427
N-pent-3-ynyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901779
N-(5,5,5-trifluoropentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 115519993
N-(thiophen-3-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901469
N-(3-hydroxypentyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901745
N-(2H-tetrazol-5-ylmethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901428
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901808
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-[(3-hydroxycyclopentyl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 106134248
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106135423) is N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NCC1CCC(O)CC1)C1CNc2ccccc2C1.
What is the InChIKey of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is BQRBCAIUPVYVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-15-7-5-12(6-8-15)10-19-17(21)14-9-13-3-1-2-4-16(13)18-11-14/h1-4,12,14-15,18,20H,5-11H2,(H,19,21).
What are the key properties of N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.94, 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-3-carboxamide is sourced from PubChem (CID 106135423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).