aniline;2-methyl-1H-quinolin-4-one

C16H16N2O — CID 162249477

IUPACaniline;2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2ccccc2[nH]1.Nc1ccccc1
InChIInChI=1S/C10H9NO.C6H7N/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,11,12);1-5H,7H2
InChIKeyZXUHDDFJPBGVQE-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.11
Rot. Bonds

About aniline;2-methyl-1H-quinolin-4-one

aniline;2-methyl-1H-quinolin-4-one (PubChem CID 162249477) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is aniline;2-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Nameaniline;2-methyl-1H-quinolin-4-one
PubChem CID162249477
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Nameaniline;2-methyl-1H-quinolin-4-one
SMILESCc1cc(=O)c2ccccc2[nH]1.Nc1ccccc1
InChIInChI=1S/C10H9NO.C6H7N/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,11,12);1-5H,7H2
InChIKeyZXUHDDFJPBGVQE-UHFFFAOYSA-N
XLogP3.11
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-1H-quinolin-4-one;molecular hydrogen;propane
CID 145019261
4-iodoaniline;6-iodo-2-methyl-1H-quinolin-4-one
CID 68780891
3-methyl-2H-2-benzazepine-1,5-dione
CID 15271398
8-amino-2-methyl-1H-quinolin-4-one
CID 21448150
acetamide;4-oxo-1H-quinoline-2-carboxylic acid
CID 160920347
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
CID 12529019
2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
benzene;2-methyl-1H-indole
CID 158804583
3-(4-aminophenyl)-1H-quinazoline-2,4-dione;ethane
CID 91428000
2-methyl-8-phenoxy-1H-quinolin-4-one
CID 43668334
6-fluoro-2-methyl-7-phenylmethoxy-1H-quinolin-4-one
CID 22641455
(4-oxo-1H-quinolin-2-yl) hydrogen carbonate
CID 67017481

Frequently Asked Questions

What is the IUPAC name of aniline;2-methyl-1H-quinolin-4-one?
The IUPAC name of aniline;2-methyl-1H-quinolin-4-one (CID 162249477) is aniline;2-methyl-1H-quinolin-4-one.
What is the SMILES notation for aniline;2-methyl-1H-quinolin-4-one?
The canonical SMILES for aniline;2-methyl-1H-quinolin-4-one is Cc1cc(=O)c2ccccc2[nH]1.Nc1ccccc1.
What is the InChIKey of aniline;2-methyl-1H-quinolin-4-one?
The InChIKey is ZXUHDDFJPBGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO.C6H7N/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;7-6-4-2-1-3-5-6/h2-6H,1H3,(H,11,12);1-5H,7H2.
What are the key properties of aniline;2-methyl-1H-quinolin-4-one?
aniline;2-methyl-1H-quinolin-4-one has a molecular weight of 252.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-methyl-1H-quinolin-4-one is sourced from PubChem (CID 162249477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).