3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline

C17H17FN4O3S — CID 7593132

IUPAC3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H17FN4O3S/c1-11-19-15-7-5-4-6-13(15)17(23)22(11)12-8-9-14(18)16(10-12)20-26(24,25)21(2)3/h4-10,20H,1-3H3
InChIKeyBNPVVPDKURMHON-UHFFFAOYSA-N
MW376.41 g/mol
LogP2.05
Rot. Bonds4

About 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline

3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline (PubChem CID 7593132) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline.

Molecular Properties

Compound Name3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline
PubChem CID7593132
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline
SMILESCc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)N(C)C)c1
InChIInChI=1S/C17H17FN4O3S/c1-11-19-15-7-5-4-6-13(15)17(23)22(11)12-8-9-14(18)16(10-12)20-26(24,25)21(2)3/h4-10,20H,1-3H3
InChIKeyBNPVVPDKURMHON-UHFFFAOYSA-N
XLogP2.05
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-methylbenzenesulfonamide
CID 43995526
2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-(trifluoromethyl)benzenesulfonamide
CID 41077451
N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methylbenzamide
CID 7593064
2,5-difluoro-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 16799885
5-bromo-2-chloro-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077291
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 41077351
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
3-[3-(dimethylamino)phenyl]-2-methylquinazolin-4-one
CID 3031710
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]methanesulfonamide
CID 30600489
2,5-dichloro-N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41077256
N-[2-chloro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]naphthalene-2-sulfonamide
CID 41077373
3-chloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzenesulfonamide
CID 41004157

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline?
The IUPAC name of 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline (CID 7593132) is 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline.
What is the SMILES notation for 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline?
The canonical SMILES for 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline is Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NS(=O)(=O)N(C)C)c1.
What is the InChIKey of 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline?
The InChIKey is BNPVVPDKURMHON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c1-11-19-15-7-5-4-6-13(15)17(23)22(11)12-8-9-14(18)16(10-12)20-26(24,25)21(2)3/h4-10,20H,1-3H3.
What are the key properties of 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline?
3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline has a molecular weight of 376.41 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylsulfamoylamino)-4-fluorophenyl]-2-methyl-4-oxoquinazoline is sourced from PubChem (CID 7593132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).