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

C16H22N2O2 — CID 43696101

IUPACN-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NC1CCCC(O)C1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H22N2O2/c19-14-5-1-4-13(10-14)18-16(20)12-6-7-15-11(9-12)3-2-8-17-15/h6-7,9,13-14,17,19H,1-5,8,10H2,(H,18,20)
InChIKeySEBHWPJXTGYSET-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.08
Rot. Bonds2

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

N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 43696101) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID43696101
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESO=C(NC1CCCC(O)C1)c1ccc2c(c1)CCCN2
InChIInChI=1S/C16H22N2O2/c19-14-5-1-4-13(10-14)18-16(20)12-6-7-15-11(9-12)3-2-8-17-15/h6-7,9,13-14,17,19H,1-5,8,10H2,(H,18,20)
InChIKeySEBHWPJXTGYSET-UHFFFAOYSA-N
XLogP2.08
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
N-(1,1-dioxothian-3-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63922749
N-cyclopropyl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142413
N-[(1R,2R)-2-hydroxycyclohexyl]-2,3-dihydro-1H-indole-5-carboxamide
CID 107221941
N-[(4-hydroxycyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106135432
N-(3-hydroxycyclohexyl)-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712189
1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 79194659
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-(oxolan-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 80712536
N-(1-ethylpiperidin-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 61169040
N-cyclopentyl-2,3-dihydro-1H-indole-6-carboxamide
CID 113382512

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 43696101) is N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is O=C(NC1CCCC(O)C1)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is SEBHWPJXTGYSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-14-5-1-4-13(10-14)18-16(20)12-6-7-15-11(9-12)3-2-8-17-15/h6-7,9,13-14,17,19H,1-5,8,10H2,(H,18,20).
What are the key properties of N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 43696101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).