3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one

C16H14N2O2 — CID 46950057

IUPAC3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNc1ccccc1O
InChIInChI=1S/C16H14N2O2/c19-15-8-4-3-7-14(15)17-10-12-9-11-5-1-2-6-13(11)18-16(12)20/h1-9,17,19H,10H2,(H,18,20)
InChIKeyVXQXDZVDJANNAW-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.85
Rot. Bonds3

About 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one

3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one (PubChem CID 46950057) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
PubChem CID46950057
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one
SMILESO=c1[nH]c2ccccc2cc1CNc1ccccc1O
InChIInChI=1S/C16H14N2O2/c19-15-8-4-3-7-14(15)17-10-12-9-11-5-1-2-6-13(11)18-16(12)20/h1-9,17,19H,10H2,(H,18,20)
InChIKeyVXQXDZVDJANNAW-UHFFFAOYSA-N
XLogP2.85
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[(2-hydroxyanilino)methyl]-7-methyl-1H-quinolin-2-one;hydrobromide
CID 171669839
3-[(2-bromo-5-methylanilino)methyl]-1H-quinolin-2-one
CID 82745470
3-[(2-chloro-5-methylanilino)methyl]-1H-quinolin-2-one
CID 107631320
3-[[(6-bromo-2-methyl-3-pyridinyl)amino]methyl]-1H-quinolin-2-one
CID 104599995
3-[(2-methylbut-3-yn-2-ylamino)methyl]-1H-quinolin-2-one
CID 63999144
3-[(3-methylanilino)methyl]-1H-quinolin-2-one
CID 944018
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-1H-quinolin-2-one
CID 93081788
3-[(3-hydroxypropylamino)methyl]-1H-quinolin-2-one
CID 28715980
3-[(4-hydroxyphenyl)methylamino]-1H-quinolin-2-one
CID 142731769
3-hydroxy-1H-quinolin-2-one
CID 162237175
3-hydroxy-1H-quinolin-2-one
CID 818159
6-chloro-3-[(2-fluoroanilino)methyl]-1H-quinolin-2-one
CID 118955702

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one (CID 46950057) is 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one is O=c1[nH]c2ccccc2cc1CNc1ccccc1O.
What is the InChIKey of 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one?
The InChIKey is VXQXDZVDJANNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-8-4-3-7-14(15)17-10-12-9-11-5-1-2-6-13(11)18-16(12)20/h1-9,17,19H,10H2,(H,18,20).
What are the key properties of 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one?
3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one has a molecular weight of 266.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyanilino)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 46950057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).