N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

C11H13N3O2 — CID 79194659

IUPACN-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESNC(=O)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C11H13N3O2/c12-11(16)14-10(15)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,13H,1-2,5H2,(H3,12,14,15,16)
InChIKeyPLJVHRWRHFUAKQ-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.85
Rot. Bonds1

About N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide

N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide (PubChem CID 79194659) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide.

Molecular Properties

Compound NameN-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
PubChem CID79194659
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide
SMILESNC(=O)NC(=O)c1ccc2c(c1)CCCN2
InChIInChI=1S/C11H13N3O2/c12-11(16)14-10(15)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,13H,1-2,5H2,(H3,12,14,15,16)
InChIKeyPLJVHRWRHFUAKQ-UHFFFAOYSA-N
XLogP0.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,2,3,4-tetrahydroquinoline-6-carboxylic acid;hydrochloride
CID 50988785
(2S)-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 78967710
N-(3-hydroxy-2,2-dimethylpropyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 115360312
2,2-dimethyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 115427981
N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325644
N-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 83015501
N-(2-iodophenyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 43325719
N-(2-hydroxycyclohexyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 62360933
N-[(1S)-1-cyclohexylethyl]-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 81389029
N-(2-cyclopropyl-2-hydroxyethyl)-1,2,3,4-tetrahydroquinoline-6-carboxamide
CID 63297309
2-hydroxy-2-methyl-3-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)propanoic acid
CID 66177881
(2R)-3-methyl-2-(1,2,3,4-tetrahydroquinoline-6-carbonylamino)butanoic acid
CID 79009724

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The IUPAC name of N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide (CID 79194659) is N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide.
What is the SMILES notation for N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The canonical SMILES for N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide is NC(=O)NC(=O)c1ccc2c(c1)CCCN2.
What is the InChIKey of N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
The InChIKey is PLJVHRWRHFUAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-11(16)14-10(15)8-3-4-9-7(6-8)2-1-5-13-9/h3-4,6,13H,1-2,5H2,(H3,12,14,15,16).
What are the key properties of N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide?
N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 0.85, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-1,2,3,4-tetrahydroquinoline-6-carboxamide is sourced from PubChem (CID 79194659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).