12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline

C31H19F3N2O — CID 11477411

IUPAC12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESFC(F)(F)c1nc2ccccc2c2c(C3=CC(c4ccccc4)Oc4ccccc43)c3ccccc3n12
InChIInChI=1S/C31H19F3N2O/c32-31(33,34)30-35-24-15-7-4-13-21(24)29-28(22-14-5-8-16-25(22)36(29)30)23-18-27(19-10-2-1-3-11-19)37-26-17-9-6-12-20(23)26/h1-18,27H
InChIKeyBJNIHUCTPIBMHV-UHFFFAOYSA-N
MW492.50 g/mol
LogP8.22
Rot. Bonds2

About 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline

12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline (PubChem CID 11477411) has the molecular formula C31H19F3N2O and a molecular weight of 492.50 g/mol. Its IUPAC name is 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline.

Molecular Properties

Compound Name12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
PubChem CID11477411
Molecular FormulaC31H19F3N2O
Molecular Weight492.50 g/mol
Exact Mass492.14
IUPAC Name12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline
SMILESFC(F)(F)c1nc2ccccc2c2c(C3=CC(c4ccccc4)Oc4ccccc43)c3ccccc3n12
InChIInChI=1S/C31H19F3N2O/c32-31(33,34)30-35-24-15-7-4-13-21(24)29-28(22-14-5-8-16-25(22)36(29)30)23-18-27(19-10-2-1-3-11-19)37-26-17-9-6-12-20(23)26/h1-18,27H
InChIKeyBJNIHUCTPIBMHV-UHFFFAOYSA-N
XLogP8.22
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.50
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-[3-(Trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
CID 11544782
5-[1-[4-(Trifluoromethyl)phenyl]ethoxy]quinazoline-2,4-diamine
CID 11559319
5-[[2-(Trifluoromethyl)phenyl]methoxy]quinazoline-2,4-diamine
CID 24778030
4-(5-Methoxy-2,3-dihydroindol-1-yl)-2-methylquinazoline
CID 71542985
1-Methoxy-5-methylindolo[2,3-b]quinoline
CID 44344598
2-Phenyl-4-[3-(trifluoromethyl)phenoxy]quinazoline
CID 155556108
2,4-Quinazolinediamine,5-[1-[2-(trifluoromethyl)phenyl]ethoxy]-
CID 11494005
2-Ethoxy-4-[4-(4-fluorophenoxy)phenyl]quinazoline
CID 56960212
2-[[3-Phenyl-2-(trifluoromethyl)benzimidazol-5-yl]oxymethyl]quinoline
CID 76324597
2-Phenyl-4-(trifluoromethyl)spiro[chromeno[4,3-d]pyrimidine-5,1'-cyclopentane]
CID 137636905
2-Phenyl-4-(trifluoromethyl)spiro[chromeno[4,3-d]pyrimidine-5,1'-cyclohexane]
CID 137642620
4-(4-Methoxyphenyl)-2-phenylquinazoline
CID 3346563

Frequently Asked Questions

What is the IUPAC name of 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The IUPAC name of 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline (CID 11477411) is 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline.
What is the SMILES notation for 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The canonical SMILES for 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline is FC(F)(F)c1nc2ccccc2c2c(C3=CC(c4ccccc4)Oc4ccccc43)c3ccccc3n12.
What is the InChIKey of 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
The InChIKey is BJNIHUCTPIBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19F3N2O/c32-31(33,34)30-35-24-15-7-4-13-21(24)29-28(22-14-5-8-16-25(22)36(29)30)23-18-27(19-10-2-1-3-11-19)37-26-17-9-6-12-20(23)26/h1-18,27H.
What are the key properties of 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline?
12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline has a molecular weight of 492.50 g/mol, XLogP of 8.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(2-phenyl-2H-chromen-4-yl)-6-(trifluoromethyl)indolo[1,2-c]quinazoline is sourced from PubChem (CID 11477411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).