[2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid

C12H10N4O6 — CID 141043528

IUPAC[2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccccc2c(NC(=O)O)c1NC(=O)O
InChIInChI=1S/C12H10N4O6/c17-10(18)14-7-5-3-1-2-4-6(5)13-9(16-12(21)22)8(7)15-11(19)20/h1-4,15H,(H,17,18)(H,19,20)(H,21,22)(H2,13,14,16)
InChIKeySKAGDOIJZXZSDL-UHFFFAOYSA-N
MW306.23 g/mol
LogP2.50
Rot. Bonds3

About [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid

[2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid (PubChem CID 141043528) has the molecular formula C12H10N4O6 and a molecular weight of 306.23 g/mol. Its IUPAC name is [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid.

Molecular Properties

Compound Name[2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid
PubChem CID141043528
Molecular FormulaC12H10N4O6
Molecular Weight306.23 g/mol
Exact Mass306.06
IUPAC Name[2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid
SMILESO=C(O)Nc1nc2ccccc2c(NC(=O)O)c1NC(=O)O
InChIInChI=1S/C12H10N4O6/c17-10(18)14-7-5-3-1-2-4-6(5)13-9(16-12(21)22)8(7)15-11(19)20/h1-4,15H,(H,17,18)(H,19,20)(H,21,22)(H2,13,14,16)
InChIKeySKAGDOIJZXZSDL-UHFFFAOYSA-N
XLogP2.50
TPSA160.88 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.23
LogP ≤ 52.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

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Related Compounds

N-acridin-9-ylbenzamide
CID 40532924
N-(2-methylquinazolin-4-yl)acetamide
CID 13329017
N-(2-ethyl-3-methylquinolin-4-yl)butanamide
CID 787490
1-[4-(acridin-9-ylamino)phenyl]-3-phenylurea;hydron;chloride
CID 50987018
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199
3-[2-(acridin-9-ylamino)ethylamino]propanoic acid
CID 71513367
N-(1,2-dimethylimidazo[4,5-c]quinolin-4-yl)-2-tritioacetamide
CID 89362033
methyl N-[2-(acridin-9-ylamino)phenyl]carbamate;hydrochloride
CID 138402094
N-acetyl-N-acridin-9-ylacetamide
CID 138324602
4-(2,2-dimethylhydrazinyl)quinazoline-2-carboxylic acid
CID 83016198
(2S,3S)-2-(acridin-9-ylamino)-3-hydroxybutanoic acid
CID 7722645
N-[3-(acridin-9-ylamino)-5-hydroxyphenyl]acetamide
CID 18962360

Frequently Asked Questions

What is the IUPAC name of [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid?
The IUPAC name of [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid (CID 141043528) is [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid.
What is the SMILES notation for [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid?
The canonical SMILES for [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid is O=C(O)Nc1nc2ccccc2c(NC(=O)O)c1NC(=O)O.
What is the InChIKey of [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid?
The InChIKey is SKAGDOIJZXZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O6/c17-10(18)14-7-5-3-1-2-4-6(5)13-9(16-12(21)22)8(7)15-11(19)20/h1-4,15H,(H,17,18)(H,19,20)(H,21,22)(H2,13,14,16).
What are the key properties of [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid?
[2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid has a molecular weight of 306.23 g/mol, XLogP of 2.50, 3 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-bis(carboxyamino)quinolin-4-yl]carbamic acid is sourced from PubChem (CID 141043528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).