N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide

C19H18FN3O4S — CID 90114720

IUPACN-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide
SMILESCOc1cc2ncnc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2cc1OC
InChIInChI=1S/C19H18FN3O4S/c1-26-17-8-14-16(9-18(17)27-2)21-10-22-19(14)13-6-3-11(7-15(13)20)23-28(24,25)12-4-5-12/h3,6-10,12,23H,4-5H2,1-2H3
InChIKeyQQEJWUMFRFHFAG-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.36
Rot. Bonds6

About N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide

N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide (PubChem CID 90114720) has the molecular formula C19H18FN3O4S and a molecular weight of 403.44 g/mol. Its IUPAC name is N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide
PubChem CID90114720
Molecular FormulaC19H18FN3O4S
Molecular Weight403.44 g/mol
Exact Mass403.10
IUPAC NameN-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide
SMILESCOc1cc2ncnc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2cc1OC
InChIInChI=1S/C19H18FN3O4S/c1-26-17-8-14-16(9-18(17)27-2)21-10-22-19(14)13-6-3-11(7-15(13)20)23-28(24,25)12-4-5-12/h3,6-10,12,23H,4-5H2,1-2H3
InChIKeyQQEJWUMFRFHFAG-UHFFFAOYSA-N
XLogP3.36
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-(4-bromo-2-fluorophenyl)-6-methoxyquinazolin-7-yl]oxymethyl]-2-methoxycyclohexan-1-ol
CID 86292492
4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
CID 64552204
2-[4-(6,7-dimethoxyquinazolin-4-yl)phenyl]pyrrolidine-1-sulfonamide
CID 164820131
4-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazoline
CID 154582894
N-[3-fluoro-4-(6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)phenyl]-4-methylbenzenesulfonamide
CID 90114318
[1-[2-fluoro-4-(methylamino)phenyl]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-8-yl] trifluoromethanesulfonate
CID 162589945
N-(4-fluoro-3-nitrophenyl)-6,7-dimethoxyquinazolin-4-amine
CID 10337538
6,7-dimethoxy-4-[[(1R)-1-[4-(sulfamoylamino)phenyl]ethyl]amino]quinazoline
CID 150898043
N-[4-(6-chloro-3-methylpyrazolo[4,3-c]pyridin-1-yl)-3-methoxyphenyl]cyclopropanesulfonamide
CID 174297669
N-(3-chloro-4-fluorophenyl)-7-methoxy-6-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethoxy]quinazolin-4-amine
CID 90294712
N-(3,4-difluorophenyl)-2-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]pyrimidin-5-amine
CID 126500849
N-[3-fluoro-4-(6-methoxy-7-phenylmethoxyquinolin-4-yl)phenyl]hydroxylamine
CID 91206596

Frequently Asked Questions

What is the IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide?
The IUPAC name of N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide (CID 90114720) is N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide?
The canonical SMILES for N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide is COc1cc2ncnc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2cc1OC.
What is the InChIKey of N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide?
The InChIKey is QQEJWUMFRFHFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4S/c1-26-17-8-14-16(9-18(17)27-2)21-10-22-19(14)13-6-3-11(7-15(13)20)23-28(24,25)12-4-5-12/h3,6-10,12,23H,4-5H2,1-2H3.
What are the key properties of N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide?
N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide has a molecular weight of 403.44 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6,7-dimethoxyquinazolin-4-yl)-3-fluorophenyl]cyclopropanesulfonamide is sourced from PubChem (CID 90114720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).