2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C25H22F3N5O2S — CID 10217941

IUPAC2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCCc1nc(Nc2ccc3c(c2)CCN3S(C)(=O)=O)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H22F3N5O2S/c1-3-22-31-20-14-16(23-19(25(26,27)28)5-4-11-29-23)6-8-18(20)24(32-22)30-17-7-9-21-15(13-17)10-12-33(21)36(2,34)35/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,30,31,32)
InChIKeyLQNBKLABOMEXGA-UHFFFAOYSA-N
MW513.55 g/mol
LogP5.34
Rot. Bonds5

About 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 10217941) has the molecular formula C25H22F3N5O2S and a molecular weight of 513.55 g/mol. Its IUPAC name is 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID10217941
Molecular FormulaC25H22F3N5O2S
Molecular Weight513.55 g/mol
Exact Mass513.14
IUPAC Name2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCCc1nc(Nc2ccc3c(c2)CCN3S(C)(=O)=O)c2ccc(-c3ncccc3C(F)(F)F)cc2n1
InChIInChI=1S/C25H22F3N5O2S/c1-3-22-31-20-14-16(23-19(25(26,27)28)5-4-11-29-23)6-8-18(20)24(32-22)30-17-7-9-21-15(13-17)10-12-33(21)36(2,34)35/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,30,31,32)
InChIKeyLQNBKLABOMEXGA-UHFFFAOYSA-N
XLogP5.34
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.55
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine with MolForge

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Related Compounds

Ngd-8243
CID 11247522
Sch-79797
CID 4259181
N-(6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)quinolin-7-amine
CID 10248318
9-[(3~{R},4~{R})-4-fluoranylpyrrolidin-3-yl]-7-methyl-2-[(7-methylquinolin-6-yl)amino]purin-8-one
CID 146273897
Puquitinib mesylate dihydrate
CID 135391000
N-[5-[3-[2-(Cyclopropylmethylamino)pyrimidin-4-yl]-7-[(dimethylamino)methyl]-6-methylimidazo[1,2-a]pyridin-2-yl]-2-fluorophenyl]methanesulfonamide
CID 137348299
6-Methyl-N5-(3-(pyrimidin-4-yl)pyridin-2-yl)-N1-(3-(trifluoromethyl)phenyl)isoquinoline-1,5-diamine
CID 16214904
(1-Benzyl-1H-indol-5-yl)-quinazolin-4-yl-amine
CID 44279279
(5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromethylpyridin-2-yl)quinazolin-4-yl]amine
CID 10238224
2-methyl-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10238413
2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-(3-(trifluoromethyl)pyridin-2-yl)quinazolin-4-amine
CID 10367774
n4-(1h-Indol-5-yl)quinazoline-4,6-diamine
CID 23366728

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 10217941) is 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is CCc1nc(Nc2ccc3c(c2)CCN3S(C)(=O)=O)c2ccc(-c3ncccc3C(F)(F)F)cc2n1.
What is the InChIKey of 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is LQNBKLABOMEXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N5O2S/c1-3-22-31-20-14-16(23-19(25(26,27)28)5-4-11-29-23)6-8-18(20)24(32-22)30-17-7-9-21-15(13-17)10-12-33(21)36(2,34)35/h4-9,11,13-14H,3,10,12H2,1-2H3,(H,30,31,32).
What are the key properties of 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 513.55 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 10217941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).