(quinolin-4-ylamino) benzoate

C16H12N2O2 — CID 23468711

IUPAC(quinolin-4-ylamino) benzoate
SMILESO=C(ONc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16(12-6-2-1-3-7-12)20-18-15-10-11-17-14-9-5-4-8-13(14)15/h1-11H,(H,17,18)
InChIKeyOUWQRWTYMHTEAX-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.42
Rot. Bonds3

About (quinolin-4-ylamino) benzoate

(quinolin-4-ylamino) benzoate (PubChem CID 23468711) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (quinolin-4-ylamino) benzoate.

Molecular Properties

Compound Name(quinolin-4-ylamino) benzoate
PubChem CID23468711
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(quinolin-4-ylamino) benzoate
SMILESO=C(ONc1ccnc2ccccc12)c1ccccc1
InChIInChI=1S/C16H12N2O2/c19-16(12-6-2-1-3-7-12)20-18-15-10-11-17-14-9-5-4-8-13(14)15/h1-11H,(H,17,18)
InChIKeyOUWQRWTYMHTEAX-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[[4,6-bis(benzoyloxyamino)-1,3,5-triazin-2-yl]amino] benzoate
CID 90935192
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
N-phenyl-4-(quinolin-4-ylamino)benzamide
CID 58472461
cis-(1R,3S)-3-(quinolin-4-ylamino)cyclopentane-1-carboxylic acid
CID 106322010
2-(quinolin-4-ylamino)acetamide
CID 61340443
3-(quinolin-4-ylamino)cyclohexane-1-carboxylic acid
CID 63041878
4-[(E)-C-methyl-N-(quinolin-4-ylamino)carbonimidoyl]benzoic acid
CID 167909211
2-ethyl-2-(quinolin-4-ylamino)butanoic acid
CID 79807189
3-(quinolin-4-ylamino)butanamide
CID 115685011
(1,3-thiazol-2-ylamino) benzoate
CID 174937063
2-(quinolin-4-ylamino)benzamide;dihydrochloride
CID 143657459
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746

Frequently Asked Questions

What is the IUPAC name of (quinolin-4-ylamino) benzoate?
The IUPAC name of (quinolin-4-ylamino) benzoate (CID 23468711) is (quinolin-4-ylamino) benzoate.
What is the SMILES notation for (quinolin-4-ylamino) benzoate?
The canonical SMILES for (quinolin-4-ylamino) benzoate is O=C(ONc1ccnc2ccccc12)c1ccccc1.
What is the InChIKey of (quinolin-4-ylamino) benzoate?
The InChIKey is OUWQRWTYMHTEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(12-6-2-1-3-7-12)20-18-15-10-11-17-14-9-5-4-8-13(14)15/h1-11H,(H,17,18).
What are the key properties of (quinolin-4-ylamino) benzoate?
(quinolin-4-ylamino) benzoate has a molecular weight of 264.28 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (quinolin-4-ylamino) benzoate is sourced from PubChem (CID 23468711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).