4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide

C18H17ClFN5O3S — CID 57343054

IUPAC4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1F
InChIInChI=1S/C18H17ClFN5O3S/c1-2-8-29(27,28)25-13-7-6-12(19)16(14(13)20)24-18(26)11-5-3-4-10-15(11)22-9-23-17(10)21/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H2,21,22,23)
InChIKeyMJJWZJINJGYJSU-UHFFFAOYSA-N
MW437.88 g/mol
LogP3.41
Rot. Bonds6

About 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide

4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide (PubChem CID 57343054) has the molecular formula C18H17ClFN5O3S and a molecular weight of 437.88 g/mol. Its IUPAC name is 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide
PubChem CID57343054
Molecular FormulaC18H17ClFN5O3S
Molecular Weight437.88 g/mol
Exact Mass437.07
IUPAC Name4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide
SMILESCCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1F
InChIInChI=1S/C18H17ClFN5O3S/c1-2-8-29(27,28)25-13-7-6-12(19)16(14(13)20)24-18(26)11-5-3-4-10-15(11)22-9-23-17(10)21/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H2,21,22,23)
InChIKeyMJJWZJINJGYJSU-UHFFFAOYSA-N
XLogP3.41
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.88
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-N-(6-chloro-2-fluoro-3-{[(2-fluorophenyl)sulfonyl]amino}phenyl)-6-(1,3-dimethyl-1H-pyrazol-4-yl)quinazoline-8-carboxamide
CID 155899127
4-Amino-quinazoline-8-carboxylic acid [2-chloro-6-fluoro-3-(propane-1-sulfonylamino)-phenyl]-amide
CID 50912930
4-amino-N-[6-chloro-2-fluoro-3-(3-fluoropropylsulfonylamino)phenyl]quinazoline-8-carboxamide
CID 57343055
4-amino-N-(6-chloro-2-fluoro-3-{[(pyrrolidin-1-yl)sulfonyl]amino}phenyl)quinazoline-8-carboxamide
CID 155899129
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-pyridin-3-ylquinazoline-8-carboxamide
CID 162655197
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide
CID 162656327
4-amino-N-[6-chloro-3-[(2-chlorophenyl)sulfonylamino]-2-fluorophenyl]-6-(1,3-dimethylpyrazol-4-yl)quinazoline-8-carboxamide
CID 162656926
4-Amino-quinazoline-8-carboxylic acid [2,6-difluoro-3-(propane-1-sulfonylamino)-phenyl]-amide
CID 50996310
4-[1-[3-[(4-Chloro-3-fluorobenzoyl)amino]phenyl]ethylamino]quinazoline-8-carboxamide
CID 66762438
4-[[3-[(4-Chloro-2,6-difluorobenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763250
4-[[3-[(4-Chlorobenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763255
4-[[3-[(3-Chlorobenzoyl)amino]phenyl]methylamino]quinazoline-8-carboxamide
CID 66763440

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide (CID 57343054) is 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide is CCCS(=O)(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(N)ncnc23)c1F.
What is the InChIKey of 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide?
The InChIKey is MJJWZJINJGYJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN5O3S/c1-2-8-29(27,28)25-13-7-6-12(19)16(14(13)20)24-18(26)11-5-3-4-10-15(11)22-9-23-17(10)21/h3-7,9,25H,2,8H2,1H3,(H,24,26)(H2,21,22,23).
What are the key properties of 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide?
4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide has a molecular weight of 437.88 g/mol, XLogP of 3.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[6-chloro-2-fluoro-3-(propylsulfonylamino)phenyl]quinazoline-8-carboxamide is sourced from PubChem (CID 57343054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).