4-amino-N-carbamoylquinoline-2-carboxamide

C11H10N4O2 — CID 18770494

IUPAC4-amino-N-carbamoylquinoline-2-carboxamide
SMILESNC(=O)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C11H10N4O2/c12-7-5-9(10(16)15-11(13)17)14-8-4-2-1-3-6(7)8/h1-5H,(H2,12,14)(H3,13,15,16,17)
InChIKeyZIVARBFLORIPOZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP0.63
Rot. Bonds1

About 4-amino-N-carbamoylquinoline-2-carboxamide

4-amino-N-carbamoylquinoline-2-carboxamide (PubChem CID 18770494) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-amino-N-carbamoylquinoline-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-carbamoylquinoline-2-carboxamide
PubChem CID18770494
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-amino-N-carbamoylquinoline-2-carboxamide
SMILESNC(=O)NC(=O)c1cc(N)c2ccccc2n1
InChIInChI=1S/C11H10N4O2/c12-7-5-9(10(16)15-11(13)17)14-8-4-2-1-3-6(7)8/h1-5H,(H2,12,14)(H3,13,15,16,17)
InChIKeyZIVARBFLORIPOZ-UHFFFAOYSA-N
XLogP0.63
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-aminoquinoline-2-carboxylic acid;hydrochloride
CID 171379335
4-amino-N-(2-iodophenyl)quinoline-2-carboxamide
CID 63375620
4-amino-N-(3-bromophenyl)quinoline-2-carboxamide
CID 63375115
4-amino-N-(1,3,4-thiadiazol-2-yl)quinoline-2-carboxamide
CID 63377505
4-amino-N-(2-bromophenyl)quinoline-2-carboxamide
CID 63375071
4-amino-N-(4-amino-4-oxobutan-2-yl)quinoline-2-carboxamide
CID 115751990
4-amino-N-(2,2-dimethylbutyl)quinoline-2-carboxamide
CID 103461470
4-amino-N-(2-hydroxypropyl)quinoline-2-carboxamide
CID 113319901
4-amino-N-[2-(methylamino)-2-oxoethyl]quinoline-2-carboxamide
CID 63375489
4-amino-N-(5-methyl-3-pyridinyl)quinoline-2-carboxamide
CID 107585398
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)quinoline-2-carboxamide
CID 115485639
4-amino-N-(4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63375215

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-carbamoylquinoline-2-carboxamide?
The IUPAC name of 4-amino-N-carbamoylquinoline-2-carboxamide (CID 18770494) is 4-amino-N-carbamoylquinoline-2-carboxamide.
What is the SMILES notation for 4-amino-N-carbamoylquinoline-2-carboxamide?
The canonical SMILES for 4-amino-N-carbamoylquinoline-2-carboxamide is NC(=O)NC(=O)c1cc(N)c2ccccc2n1.
What is the InChIKey of 4-amino-N-carbamoylquinoline-2-carboxamide?
The InChIKey is ZIVARBFLORIPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c12-7-5-9(10(16)15-11(13)17)14-8-4-2-1-3-6(7)8/h1-5H,(H2,12,14)(H3,13,15,16,17).
What are the key properties of 4-amino-N-carbamoylquinoline-2-carboxamide?
4-amino-N-carbamoylquinoline-2-carboxamide has a molecular weight of 230.23 g/mol, XLogP of 0.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-carbamoylquinoline-2-carboxamide is sourced from PubChem (CID 18770494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).