(4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

C29H21F3N2O — CID 11431356

IUPAC(4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESO=C(C1=CCC(c2ccccc2)CC1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C29H21F3N2O/c30-29(31,32)28-33-23-12-6-4-10-21(23)26-25(22-11-5-7-13-24(22)34(26)28)27(35)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-13,16,19H,14-15,17H2
InChIKeyDWLHADQQSOYFJF-UHFFFAOYSA-N
MW470.49 g/mol
LogP7.74
Rot. Bonds3

About (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone

(4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (PubChem CID 11431356) has the molecular formula C29H21F3N2O and a molecular weight of 470.49 g/mol. Its IUPAC name is (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.

Molecular Properties

Compound Name(4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
PubChem CID11431356
Molecular FormulaC29H21F3N2O
Molecular Weight470.49 g/mol
Exact Mass470.16
IUPAC Name(4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone
SMILESO=C(C1=CCC(c2ccccc2)CC1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12
InChIInChI=1S/C29H21F3N2O/c30-29(31,32)28-33-23-12-6-4-10-21(23)26-25(22-11-5-7-13-24(22)34(26)28)27(35)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-13,16,19H,14-15,17H2
InChIKeyDWLHADQQSOYFJF-UHFFFAOYSA-N
XLogP7.74
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.49
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Aminoquinazolin-7-yl)-2,3,6,6-tetramethyl-5,7-dihydroindol-4-one
CID 25063093
3-methyl-1-phenyl-7,8-dihydro-6H-pyrazolo[3,4-b]quinolin-5-one
CID 2377208
1-(4-Aminoquinazolin-7-yl)-2,6,6-trimethyl-5,7-dihydroindol-4-one
CID 25063092
Brl-54504AX
CID 9903796
11-amino-2-ethyl-6-methyl-3,4-dihydro-2H-indolo[2,3-b]quinolin-1-one
CID 44328522
3,3,12-trimethyl-3,4-dihydrobenzimidazo[2,1-b]quinazolin-1(2H)-one
CID 666644
2,12-Diazapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),3,5,7,9,11,14,16,18-nonaene-20,21-dione
CID 127042966
Phenyl-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 162405538
(9-Pyrimidin-2-ylcarbazol-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 168276781
(4-Fluorophenyl)-(9-pyrimidin-2-ylcarbazol-1-yl)methanone
CID 168292927
7-Fluoro-3,12,14-triazapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),4(9),5,7,11,13,15,17,19-nonaene-2,10-dione
CID 163918818
2-(2,3-dihydro-1H-indol-1-yl)-7-(4-fluorophenyl)-7,8-dihydroquinazolin-5(6H)-one
CID 664334

Frequently Asked Questions

What is the IUPAC name of (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The IUPAC name of (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone (CID 11431356) is (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone.
What is the SMILES notation for (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The canonical SMILES for (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is O=C(C1=CCC(c2ccccc2)CC1)c1c2ccccc2n2c(C(F)(F)F)nc3ccccc3c12.
What is the InChIKey of (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
The InChIKey is DWLHADQQSOYFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N2O/c30-29(31,32)28-33-23-12-6-4-10-21(23)26-25(22-11-5-7-13-24(22)34(26)28)27(35)20-16-14-19(15-17-20)18-8-2-1-3-9-18/h1-13,16,19H,14-15,17H2.
What are the key properties of (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone?
(4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone has a molecular weight of 470.49 g/mol, XLogP of 7.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylcyclohexen-1-yl)-[6-(trifluoromethyl)indolo[1,2-c]quinazolin-12-yl]methanone is sourced from PubChem (CID 11431356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).