12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one

C22H20N2O — CID 135036149

IUPAC12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one
SMILESCn1c(=O)n2c3ccccc3c(C3=CCCCC3)c2c2ccccc21
InChIInChI=1S/C22H20N2O/c1-23-18-13-7-6-12-17(18)21-20(15-9-3-2-4-10-15)16-11-5-8-14-19(16)24(21)22(23)25/h5-9,11-14H,2-4,10H2,1H3
InChIKeyIKUXAJCZNMPKMR-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.90
Rot. Bonds1

About 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one

12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one (PubChem CID 135036149) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one.

Molecular Properties

Compound Name12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one
PubChem CID135036149
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one
SMILESCn1c(=O)n2c3ccccc3c(C3=CCCCC3)c2c2ccccc21
InChIInChI=1S/C22H20N2O/c1-23-18-13-7-6-12-17(18)21-20(15-9-3-2-4-10-15)16-11-5-8-14-19(16)24(21)22(23)25/h5-9,11-14H,2-4,10H2,1H3
InChIKeyIKUXAJCZNMPKMR-UHFFFAOYSA-N
XLogP4.90
TPSA26.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexen-1-yl)-1,2-dimethylindole
CID 15619846
5-methyl-6-oxo-12-phenylindolo[1,2-c]quinazoline-10-carbonitrile
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4-(cyclohexen-1-yl)-3-trimethylsilylisochromen-1-one
CID 10614043
2-[(1E)-cycloocten-1-yl]-1-methylbenzimidazole
CID 102109258
3-[2,6-di(cyclohexen-1-yl)phenyl]imidazo[1,2-f]phenanthridine
CID 59365997
3-carbazol-9-yl-9-[9-[2-(cyclohexen-1-yl)phenyl]carbazol-3-yl]carbazole
CID 170372835
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
17-methyl-17-azatetracyclo[8.7.0.02,8.011,16]heptadeca-1(10),2,7,11,13,15-hexaene
CID 166798198
6-(cyclohexen-1-yl)-3-methyl-1,3-benzoxazol-2-one
CID 167568895
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
3,4-bis(1,2-dimethylindol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480670
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194

Frequently Asked Questions

What is the IUPAC name of 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one?
The IUPAC name of 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one (CID 135036149) is 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one.
What is the SMILES notation for 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one?
The canonical SMILES for 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one is Cn1c(=O)n2c3ccccc3c(C3=CCCCC3)c2c2ccccc21.
What is the InChIKey of 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one?
The InChIKey is IKUXAJCZNMPKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-23-18-13-7-6-12-17(18)21-20(15-9-3-2-4-10-15)16-11-5-8-14-19(16)24(21)22(23)25/h5-9,11-14H,2-4,10H2,1H3.
What are the key properties of 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one?
12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one has a molecular weight of 328.42 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 12-(cyclohexen-1-yl)-5-methylindolo[1,2-c]quinazolin-6-one is sourced from PubChem (CID 135036149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).