N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

C14H20N2O2 — CID 93083207

IUPACN-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H20N2O2/c1-2-12(9-17)16-14(18)11-5-6-13-10(8-11)4-3-7-15-13/h5-6,8,12,15,17H,2-4,7,9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyDQKSHPRVSHCUBX-LBPRGKRZSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds4

About N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 93083207) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID93083207
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESCC[C@@H](CO)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C14H20N2O2/c1-2-12(9-17)16-14(18)11-5-6-13-10(8-11)4-3-7-15-13/h5-6,8,12,15,17H,2-4,7,9H2,1H3,(H,16,18)/t12-/m0/s1
InChIKeyDQKSHPRVSHCUBX-LBPRGKRZSA-N
XLogP1.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106161445
N-(6-methylheptan-2-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 61252678
4-hydroxy-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 61244599
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-[(1S)-1-pyridin-4-ylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81394978
N-[1-(1H-pyrazol-4-yl)ethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106212712
N-(1-hydroxypropan-2-yl)-N-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 113426014
N-(4-ethyl-1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 104619305
N-[2-(2-hydroxyethyl)pentyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 106116805
N-(4-hydroxybutan-2-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 83177553

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 93083207) is N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is CC[C@@H](CO)NC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is DQKSHPRVSHCUBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-12(9-17)16-14(18)11-5-6-13-10(8-11)4-3-7-15-13/h5-6,8,12,15,17H,2-4,7,9H2,1H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 93083207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).