2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one

C16H15F2N3O2 — CID 57389158

IUPAC2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3ccc(OC(F)F)cc3)nc2C1
InChIInChI=1S/C16H15F2N3O2/c1-9-6-13-12(14(22)7-9)8-19-16(21-13)20-10-2-4-11(5-3-10)23-15(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,19,20,21)
InChIKeyPIISVQTXMLIEGV-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.59
Rot. Bonds4

About 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one

2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 57389158) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID57389158
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCC1CC(=O)c2cnc(Nc3ccc(OC(F)F)cc3)nc2C1
InChIInChI=1S/C16H15F2N3O2/c1-9-6-13-12(14(22)7-9)8-19-16(21-13)20-10-2-4-11(5-3-10)23-15(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,19,20,21)
InChIKeyPIISVQTXMLIEGV-UHFFFAOYSA-N
XLogP3.59
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Gnf-2
CID 5311510
2-Amino-N-[4-Methoxy-3-(Trifluoromethyl)phenyl]-4-Methyl-3-[2-(Methylamino)quinazolin-6-Yl]benzamide
CID 86583042
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-(4-ethylphenoxy)acetamide
CID 663727
2-[(4-methoxyphenyl)amino]-7-phenyl-7,8-dihydroquinazolin-5(6H)-one
CID 664248
7-(furan-2-yl)-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 665400
2-[(4-fluorophenyl)amino]-7-(furan-2-yl)-7,8-dihydroquinazolin-5(6H)-one
CID 665489
2-[(4-ethylphenyl)amino]-7-(2-furyl)-7,8-dihydroquinazolin-5(6H)-one
CID 665816
2-[(4-ethylphenyl)amino]-7-(4-methoxyphenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 3601490
2-[(4-methoxyphenyl)amino]-7-methyl-7,8-dihydroquinazolin-5(6H)-one
CID 3773077
(E)-3-anilino-1-[4-(2-pyrimidinyloxy)phenyl]-2-propen-1-one
CID 5525005
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
6-[4-(Trifluoromethoxy)anilino]quinazoline-5,8-dione
CID 10903785

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 57389158) is 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one is CC1CC(=O)c2cnc(Nc3ccc(OC(F)F)cc3)nc2C1.
What is the InChIKey of 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is PIISVQTXMLIEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-9-6-13-12(14(22)7-9)8-19-16(21-13)20-10-2-4-11(5-3-10)23-15(17)18/h2-5,8-9,15H,6-7H2,1H3,(H,19,20,21).
What are the key properties of 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one?
2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 319.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)anilino]-7-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 57389158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).