4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide

C22H15ClF3N5O3S — CID 162656327

IUPAC4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
InChIInChI=1S/C22H15ClF3N5O3S/c1-10-6-12-19(28-9-29-21(12)27)13(7-10)22(32)30-20-14(23)3-5-16(18(20)26)31-35(33,34)17-8-11(24)2-4-15(17)25/h2-9,31H,1H3,(H,30,32)(H2,27,28,29)
InChIKeyUNHNDJUQODCOFA-UHFFFAOYSA-N
MW521.91 g/mol
LogP4.64
Rot. Bonds5

About 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide

4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide (PubChem CID 162656327) has the molecular formula C22H15ClF3N5O3S and a molecular weight of 521.91 g/mol. Its IUPAC name is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide
PubChem CID162656327
Molecular FormulaC22H15ClF3N5O3S
Molecular Weight521.91 g/mol
Exact Mass521.05
IUPAC Name4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1
InChIInChI=1S/C22H15ClF3N5O3S/c1-10-6-12-19(28-9-29-21(12)27)13(7-10)22(32)30-20-14(23)3-5-16(18(20)26)31-35(33,34)17-8-11(24)2-4-15(17)25/h2-9,31H,1H3,(H,30,32)(H2,27,28,29)
InChIKeyUNHNDJUQODCOFA-UHFFFAOYSA-N
XLogP4.64
TPSA127.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.91
LogP ≤ 54.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide?
The IUPAC name of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide (CID 162656327) is 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide?
The canonical SMILES for 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide is Cc1cc(C(=O)Nc2c(Cl)ccc(NS(=O)(=O)c3cc(F)ccc3F)c2F)c2ncnc(N)c2c1.
What is the InChIKey of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide?
The InChIKey is UNHNDJUQODCOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF3N5O3S/c1-10-6-12-19(28-9-29-21(12)27)13(7-10)22(32)30-20-14(23)3-5-16(18(20)26)31-35(33,34)17-8-11(24)2-4-15(17)25/h2-9,31H,1H3,(H,30,32)(H2,27,28,29).
What are the key properties of 4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide?
4-amino-N-[6-chloro-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide has a molecular weight of 521.91 g/mol, XLogP of 4.64, 5 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-3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl]-6-methylquinazoline-8-carboxamide is sourced from PubChem (CID 162656327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).