N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

C16H22N2O2 — CID 106901441

IUPACN-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c19-11-16(7-3-4-8-16)18-15(20)13-9-12-5-1-2-6-14(12)17-10-13/h1-2,5-6,13,17,19H,3-4,7-11H2,(H,18,20)
InChIKeyPECRHEMVVPPQAK-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.69
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide

N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (PubChem CID 106901441) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
PubChem CID106901441
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
SMILESO=C(NC1(CO)CCCC1)C1CNc2ccccc2C1
InChIInChI=1S/C16H22N2O2/c19-11-16(7-3-4-8-16)18-15(20)13-9-12-5-1-2-6-14(12)17-10-13/h1-2,5-6,13,17,19H,3-4,7-11H2,(H,18,20)
InChIKeyPECRHEMVVPPQAK-UHFFFAOYSA-N
XLogP1.69
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106893203
N-(2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901213
N-[(2S)-1-hydroxypropan-2-yl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 107219186
(3S)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 34181194
N-[4-(hydroxymethyl)oxan-4-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106704048
(2S)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 62551515
2-(1,2,3,4-tetrahydroquinoline-3-carbonylamino)pent-4-ynoic acid
CID 106901670
N-pyridazin-3-yl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901781
N-(2-cyclobutylethyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901730
N-(4-hydroxy-1-methoxybutan-2-yl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106160965
N-cyclopropylsulfonyl-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901808
N-(4-chlorophenyl)-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106901174

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide (CID 106901441) is N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is O=C(NC1(CO)CCCC1)C1CNc2ccccc2C1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
The InChIKey is PECRHEMVVPPQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-11-16(7-3-4-8-16)18-15(20)13-9-12-5-1-2-6-14(12)17-10-13/h1-2,5-6,13,17,19H,3-4,7-11H2,(H,18,20).
What are the key properties of N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide?
N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclopentyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 106901441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).