5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile

C23H15N3O — CID 132537975

IUPAC5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile
SMILESCn1c(=O)n2c3ccc(C#N)cc3c(-c3ccccc3)c2c2ccccc21
InChIInChI=1S/C23H15N3O/c1-25-19-10-6-5-9-17(19)22-21(16-7-3-2-4-8-16)18-13-15(14-24)11-12-20(18)26(22)23(25)27/h2-13H,1H3
InChIKeyNMDOGGFECZBAEJ-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.48
Rot. Bonds1

About 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile

5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile (PubChem CID 132537975) has the molecular formula C23H15N3O and a molecular weight of 349.39 g/mol. Its IUPAC name is 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile.

Molecular Properties

Compound Name5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile
PubChem CID132537975
Molecular FormulaC23H15N3O
Molecular Weight349.39 g/mol
Exact Mass349.12
IUPAC Name5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile
SMILESCn1c(=O)n2c3ccc(C#N)cc3c(-c3ccccc3)c2c2ccccc21
InChIInChI=1S/C23H15N3O/c1-25-19-10-6-5-9-17(19)22-21(16-7-3-2-4-8-16)18-13-15(14-24)11-12-20(18)26(22)23(25)27/h2-13H,1H3
InChIKeyNMDOGGFECZBAEJ-UHFFFAOYSA-N
XLogP4.48
TPSA50.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,14,26-triazadecacyclo[24.10.1.12,9.114,21.03,8.015,20.027,32.033,37.013,39.025,38]nonatriaconta-1(36),3(8),4,6,9(39),10,12,15,17,19,21(38),22,24,27,29,31,33(37),34-octadecaene-6-carbonitrile
CID 162480597
9-methylcarbazole-1,6-dicarbonitrile
CID 122501071
14-chloro-8,12-dimethyl-17-phenyl-8,10,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11(16),12,14-heptaen-9-one
CID 135035698
9,11-dimethyl-10-phenyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13(18),14,16-nonaene-4,16-dicarbonitrile
CID 164528728
3-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-6,9-diphenylcarbazole;9-phenyl-6-[4-(9-phenylcarbazol-3-yl)phenyl]carbazole-3-carbonitrile
CID 159170044
9-[5-cyano-2-[3-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336467
9-[3-cyano-5-[4-(10-phenylanthracen-9-yl)phenyl]phenyl]carbazole-3-carbonitrile
CID 167336187
4-(3-cyanophenyl)-3,5-bis(5-methylindolo[3,2-c]carbazol-12-yl)benzonitrile
CID 142465728
3-(10-phenylanthracen-9-yl)benzonitrile
CID 89026886
12,18,22,28-tetraoxo-1,5-diazanonacyclo[21.11.1.15,13.02,21.04,19.06,11.027,35.029,34.017,36]hexatriaconta-2(21),3,6,8,10,13(36),14,16,19,23,25,27(35),29,31,33-pentadecaene-15,25-dicarbonitrile
CID 166779752
9-methyl-1,3-diphenylcarbazole-2-carbonitrile
CID 3563048
1-methyl-2,4-dioxoquinazoline-6-carbonitrile
CID 141120562

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile?
The IUPAC name of 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile (CID 132537975) is 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile.
What is the SMILES notation for 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile?
The canonical SMILES for 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile is Cn1c(=O)n2c3ccc(C#N)cc3c(-c3ccccc3)c2c2ccccc21.
What is the InChIKey of 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile?
The InChIKey is NMDOGGFECZBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O/c1-25-19-10-6-5-9-17(19)22-21(16-7-3-2-4-8-16)18-13-15(14-24)11-12-20(18)26(22)23(25)27/h2-13H,1H3.
What are the key properties of 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile?
5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile is sourced from PubChem (CID 132537975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).