3-amino-2-(2-methylphenyl)-1H-quinolin-4-one

C16H14N2O — CID 11630194

IUPAC3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
SMILESCc1ccccc1-c1[nH]c2ccccc2c(=O)c1N
InChIInChI=1S/C16H14N2O/c1-10-6-2-3-7-11(10)15-14(17)16(19)12-8-4-5-9-13(12)18-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyUDGRFXRTMOOBBI-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.09
Rot. Bonds1

About 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one

3-amino-2-(2-methylphenyl)-1H-quinolin-4-one (PubChem CID 11630194) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one.

Molecular Properties

Compound Name3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
PubChem CID11630194
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-amino-2-(2-methylphenyl)-1H-quinolin-4-one
SMILESCc1ccccc1-c1[nH]c2ccccc2c(=O)c1N
InChIInChI=1S/C16H14N2O/c1-10-6-2-3-7-11(10)15-14(17)16(19)12-8-4-5-9-13(12)18-15/h2-9H,17H2,1H3,(H,18,19)
InChIKeyUDGRFXRTMOOBBI-UHFFFAOYSA-N
XLogP3.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one?
The IUPAC name of 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one (CID 11630194) is 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one.
What is the SMILES notation for 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one?
The canonical SMILES for 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one is Cc1ccccc1-c1[nH]c2ccccc2c(=O)c1N.
What is the InChIKey of 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one?
The InChIKey is UDGRFXRTMOOBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-10-6-2-3-7-11(10)15-14(17)16(19)12-8-4-5-9-13(12)18-15/h2-9H,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one?
3-amino-2-(2-methylphenyl)-1H-quinolin-4-one has a molecular weight of 250.30 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-methylphenyl)-1H-quinolin-4-one is sourced from PubChem (CID 11630194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).