2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C25H22F3N5O4S — CID 174467108

IUPAC2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCOc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H22F3N5O4S/c1-36-24-31-21-15-16(22-20(25(26,27)28)3-2-10-29-22)4-9-19(21)23(32-24)30-17-5-7-18(8-6-17)38(34,35)33-11-13-37-14-12-33/h2-10,15H,11-14H2,1H3,(H,30,31,32)
InChIKeyKJBLEWHWWCZZQT-UHFFFAOYSA-N
MW545.54 g/mol
LogP4.48
Rot. Bonds6

About 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 174467108) has the molecular formula C25H22F3N5O4S and a molecular weight of 545.54 g/mol. Its IUPAC name is 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID174467108
Molecular FormulaC25H22F3N5O4S
Molecular Weight545.54 g/mol
Exact Mass545.13
IUPAC Name2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCOc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H22F3N5O4S/c1-36-24-31-21-15-16(22-20(25(26,27)28)3-2-10-29-22)4-9-19(21)23(32-24)30-17-5-7-18(8-6-17)38(34,35)33-11-13-37-14-12-33/h2-10,15H,11-14H2,1H3,(H,30,31,32)
InChIKeyKJBLEWHWWCZZQT-UHFFFAOYSA-N
XLogP4.48
TPSA106.54 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-amine
CID 10217973
2-(methoxymethyl)-N-(4-methylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030435
N-[4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]sulfonylphenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10152863
2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]-N-[6-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
CID 10151532
N-(4-tert-butylphenyl)-2-methyl-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 10216740
7-(3-chloro-2-pyridinyl)-2-(methoxymethyl)-N-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 22030189
2-chloro-6,7-dimethoxy-N-(4-morpholin-4-ylsulfonylphenyl)quinazolin-4-amine
CID 85473005
N-[[4-[4-(trifluoromethyl)anilino]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-2-yl]methyl]methanesulfonamide
CID 22030526
4-[[2-methoxy-7-[3-(trifluoromethyl)-2-pyridinyl]pyrido[3,2-d]pyrimidin-4-yl]amino]benzonitrile
CID 174467133
N-[4-tert-butyl-3-(2-morpholin-4-ylethoxy)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 22030443
2-[1-(azocan-1-yl)ethyl]-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 87758901
2-(2-methoxy-2-piperidin-1-ylethyl)-N-[4-(trifluoromethyl)phenyl]-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
CID 90917343

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 174467108) is 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is COc1nc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccc(-c3ncccc3C(F)(F)F)cc2n1.
What is the InChIKey of 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is KJBLEWHWWCZZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O4S/c1-36-24-31-21-15-16(22-20(25(26,27)28)3-2-10-29-22)4-9-19(21)23(32-24)30-17-5-7-18(8-6-17)38(34,35)33-11-13-37-14-12-33/h2-10,15H,11-14H2,1H3,(H,30,31,32).
What are the key properties of 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 545.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(4-morpholin-4-ylsulfonylphenyl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 174467108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).