7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one

C21H19F2N3O — CID 25212398

IUPAC7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one
SMILESCC(C)C1=NCc2ccccc2N1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C21H19F2N3O/c1-12(2)21-24-10-13-5-3-4-6-17(13)26(21)11-14-9-18(27)25-20-15(14)7-8-16(22)19(20)23/h3-9,12H,10-11H2,1-2H3,(H,25,27)
InChIKeyGJAIHKOVKPCRHZ-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.38
Rot. Bonds3

About 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one

7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one (PubChem CID 25212398) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one
PubChem CID25212398
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one
SMILESCC(C)C1=NCc2ccccc2N1Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C21H19F2N3O/c1-12(2)21-24-10-13-5-3-4-6-17(13)26(21)11-14-9-18(27)25-20-15(14)7-8-16(22)19(20)23/h3-9,12H,10-11H2,1-2H3,(H,25,27)
InChIKeyGJAIHKOVKPCRHZ-UHFFFAOYSA-N
XLogP4.38
TPSA48.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one (CID 25212398) is 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one is CC(C)C1=NCc2ccccc2N1Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one?
The InChIKey is GJAIHKOVKPCRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-12(2)21-24-10-13-5-3-4-6-17(13)26(21)11-14-9-18(27)25-20-15(14)7-8-16(22)19(20)23/h3-9,12H,10-11H2,1-2H3,(H,25,27).
What are the key properties of 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one?
7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one has a molecular weight of 367.40 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-[(2-propan-2-yl-4H-quinazolin-1-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 25212398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).