[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid

C17H13N3O4 — CID 175279175

IUPAC[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid
SMILESO=C(O)NNC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1
InChIInChI=1S/C17H13N3O4/c21-13-6-8-15-12(9-13)5-7-14(18-15)10-1-3-11(4-2-10)16(22)19-20-17(23)24/h1-9,20-21H,(H,19,22)(H,23,24)
InChIKeyFKXWAAYTGUMXFV-UHFFFAOYSA-N
MW323.31 g/mol
LogP2.52
Rot. Bonds2

About [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid

[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid (PubChem CID 175279175) has the molecular formula C17H13N3O4 and a molecular weight of 323.31 g/mol. Its IUPAC name is [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid.

Molecular Properties

Compound Name[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid
PubChem CID175279175
Molecular FormulaC17H13N3O4
Molecular Weight323.31 g/mol
Exact Mass323.09
IUPAC Name[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid
SMILESO=C(O)NNC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1
InChIInChI=1S/C17H13N3O4/c21-13-6-8-15-12(9-13)5-7-14(18-15)10-1-3-11(4-2-10)16(22)19-20-17(23)24/h1-9,20-21H,(H,19,22)(H,23,24)
InChIKeyFKXWAAYTGUMXFV-UHFFFAOYSA-N
XLogP2.52
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.31
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(6-hydroxyquinolin-2-yl)benzoate
CID 66980069
2-[4-(dimethylamino)phenyl]quinolin-6-ol
CID 46931569
6-(6-hydroxyquinolin-2-yl)pyridine-3-carboxylic acid
CID 163997416
2-pyridin-3-ylquinolin-6-ol
CID 118168509
1-N,3-N,5-N-tris(4-benzo[f]quinolin-3-ylphenyl)benzene-1,3,5-tricarboxamide
CID 126638754
2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
CID 58362670
2-quinolin-2-ylquinoline-6-carboxylic acid
CID 177243847
1-(4-quinolin-2-ylphenyl)ethanone
CID 39226651
N-[2-hydroxy-4-(6-hydroxynaphthalen-2-yl)phenyl]benzamide
CID 24949874
N'-(4-methylbenzoyl)-2,3-diphenylquinoxaline-6-carbohydrazide
CID 5261928
4-(6-pentylquinolin-2-yl)phenol
CID 135525498
[(4-aminobenzoyl)amino]carbamic acid
CID 175797538

Frequently Asked Questions

What is the IUPAC name of [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid?
The IUPAC name of [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid (CID 175279175) is [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid.
What is the SMILES notation for [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid?
The canonical SMILES for [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid is O=C(O)NNC(=O)c1ccc(-c2ccc3cc(O)ccc3n2)cc1.
What is the InChIKey of [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid?
The InChIKey is FKXWAAYTGUMXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O4/c21-13-6-8-15-12(9-13)5-7-14(18-15)10-1-3-11(4-2-10)16(22)19-20-17(23)24/h1-9,20-21H,(H,19,22)(H,23,24).
What are the key properties of [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid?
[[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid has a molecular weight of 323.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(6-hydroxyquinolin-2-yl)benzoyl]amino]carbamic acid is sourced from PubChem (CID 175279175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).