2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane

C26H23ClN2S — CID 145442336

IUPAC2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane
SMILESC/C=C\c1c(C)ccc2c(-c3ccc4sc5ccccc5c4c3)nc(Cl)nc12.CC
InChIInChI=1S/C24H17ClN2S.C2H6/c1-3-6-16-14(2)9-11-18-22(26-24(25)27-23(16)18)15-10-12-21-19(13-15)17-7-4-5-8-20(17)28-21;1-2/h3-13H,1-2H3;1-2H3/b6-3-;
InChIKeyPNHVIFCZBLTZLZ-AQPBACSKSA-N
MW431.00 g/mol
LogP8.69
Rot. Bonds2

About 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane

2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane (PubChem CID 145442336) has the molecular formula C26H23ClN2S and a molecular weight of 431.00 g/mol. Its IUPAC name is 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane.

Molecular Properties

Compound Name2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane
PubChem CID145442336
Molecular FormulaC26H23ClN2S
Molecular Weight431.00 g/mol
Exact Mass430.13
IUPAC Name2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane
SMILESC/C=C\c1c(C)ccc2c(-c3ccc4sc5ccccc5c4c3)nc(Cl)nc12.CC
InChIInChI=1S/C24H17ClN2S.C2H6/c1-3-6-16-14(2)9-11-18-22(26-24(25)27-23(16)18)15-10-12-21-19(13-15)17-7-4-5-8-20(17)28-21;1-2/h3-13H,1-2H3;1-2H3/b6-3-;
InChIKeyPNHVIFCZBLTZLZ-AQPBACSKSA-N
XLogP8.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.00
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazine
CID 135379549
10-(4-dibenzothiophen-2-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine
CID 88858582
2-chloro-4-dibenzothiophen-2-yl-6-phenanthren-1-yl-1,3,5-triazine
CID 170691075
2-chloro-4,6-di(dibenzothiophen-3-yl)pyrimidine
CID 135383460
2-chloro-4-dibenzothiophen-4-yl-8-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 170529260
2-tert-butyl-4-dibenzothiophen-2-ylquinazoline
CID 134252322
4-dibenzothiophen-2-yl-N,N-dimethylaniline;ethene;2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophene;2-methyl-3-[(Z)-prop-1-enyl]-1-benzothiophene
CID 145067584
2-[4-(5-hexacyclo[12.12.0.02,7.08,13.015,20.021,26]hexacosa-1(14),2(7),3,5,8,10,12,15,17,19,21,23,25-tridecaenyl)naphthalen-1-yl]dibenzothiophene
CID 138665918
4-dibenzothiophen-2-yl-5-[(Z)-2-(2-methyl-1-benzothiophen-3-yl)ethenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidine;ethane;N-methylmethanamine;prop-1-ene
CID 145186568
4-[4-(3-methyl-4-prop-1-enylnaphthalen-1-yl)phenyl]dibenzothiophene
CID 123178339
10-(4-dibenzothiophen-2-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyrazine;10-[2-(2-dibenzothiophen-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine;10-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]phenanthro[9,10-b]pyrazine
CID 160852164
3-methyl-2-prop-1-enyl-5-triphenylen-2-yl-1-benzothiophene
CID 123337360

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane?
The IUPAC name of 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane (CID 145442336) is 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane.
What is the SMILES notation for 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane?
The canonical SMILES for 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane is C/C=C\c1c(C)ccc2c(-c3ccc4sc5ccccc5c4c3)nc(Cl)nc12.CC.
What is the InChIKey of 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane?
The InChIKey is PNHVIFCZBLTZLZ-AQPBACSKSA-N. The full InChI is InChI=1S/C24H17ClN2S.C2H6/c1-3-6-16-14(2)9-11-18-22(26-24(25)27-23(16)18)15-10-12-21-19(13-15)17-7-4-5-8-20(17)28-21;1-2/h3-13H,1-2H3;1-2H3/b6-3-;.
What are the key properties of 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane?
2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane has a molecular weight of 431.00 g/mol, XLogP of 8.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dibenzothiophen-2-yl-7-methyl-8-[(Z)-prop-1-enyl]quinazoline;ethane is sourced from PubChem (CID 145442336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).