N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide

C14H20N2O — CID 55127073

IUPACN-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCC(C)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O/c1-3-10(2)16-14(17)12-6-4-8-13-11(12)7-5-9-15-13/h4,6,8,10,15H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyDHSOKHDDWLVCQJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.57
Rot. Bonds3

About N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide

N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide (PubChem CID 55127073) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
PubChem CID55127073
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
SMILESCCC(C)NC(=O)c1cccc2c1CCCN2
InChIInChI=1S/C14H20N2O/c1-3-10(2)16-14(17)12-6-4-8-13-11(12)7-5-9-15-13/h4,6,8,10,15H,3,5,7,9H2,1-2H3,(H,16,17)
InChIKeyDHSOKHDDWLVCQJ-UHFFFAOYSA-N
XLogP2.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-heptan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62849365
N-(3-ethylpentan-2-yl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63837289
(2S)-2-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)pentanoic acid
CID 103869747
N-[1-(benzenesulfonyl)butan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 167914289
N-pentyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850400
N-(2,2-difluoroethyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 113303798
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 107852782
N-[2-(dimethylamino)ethyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850406
N-[(4-methylcyclohexyl)methyl]-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 63244251
3-methoxy-4-(1,2,3,4-tetrahydroquinoline-5-carbonylamino)butanoic acid
CID 103157004
N-(4-methylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850225
N-(2-hydroxypropyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
CID 62850263

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The IUPAC name of N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide (CID 55127073) is N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The canonical SMILES for N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide is CCC(C)NC(=O)c1cccc2c1CCCN2.
What is the InChIKey of N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
The InChIKey is DHSOKHDDWLVCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-3-10(2)16-14(17)12-6-4-8-13-11(12)7-5-9-15-13/h4,6,8,10,15H,3,5,7,9H2,1-2H3,(H,16,17).
What are the key properties of N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide?
N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1,2,3,4-tetrahydroquinoline-5-carboxamide is sourced from PubChem (CID 55127073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).