4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

C18H14Cl2N2O — CID 46834133

IUPAC4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESO=C1NC2=C(CCc3ccccc32)C(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C18H14Cl2N2O/c19-14-8-6-11(9-15(14)20)16-13-7-5-10-3-1-2-4-12(10)17(13)22-18(23)21-16/h1-4,6,8-9,16H,5,7H2,(H2,21,22,23)
InChIKeyZURMVGLTRWVMKA-UHFFFAOYSA-N
MW345.23 g/mol
LogP4.70
Rot. Bonds1

About 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one

4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (PubChem CID 46834133) has the molecular formula C18H14Cl2N2O and a molecular weight of 345.23 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
PubChem CID46834133
Molecular FormulaC18H14Cl2N2O
Molecular Weight345.23 g/mol
Exact Mass344.05
IUPAC Name4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
SMILESO=C1NC2=C(CCc3ccccc32)C(c2ccc(Cl)c(Cl)c2)N1
InChIInChI=1S/C18H14Cl2N2O/c19-14-8-6-11(9-15(14)20)16-13-7-5-10-3-1-2-4-12(10)17(13)22-18(23)21-16/h1-4,6,8-9,16H,5,7H2,(H2,21,22,23)
InChIKeyZURMVGLTRWVMKA-UHFFFAOYSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3,4,5-trimethylphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 46830943
4-(3-bromo-4-prop-2-enoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 23775445
4-(3,4,5-trimethoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 17324314
(4S)-4-(4-chlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
CID 713351
4-(2-prop-2-enoxyphenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one
CID 23804541
4-pyridin-2-yl-1,3,4,5-tetrahydroindeno[1,2-d]pyrimidin-2-one;hydrochloride
CID 90485755
4-(4-methoxy-3-nitrophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
CID 3999302
4-(3,4-dimethylphenyl)-1,3,4,5-tetrahydrochromeno[4,3-d]pyrimidin-2-one
CID 46833551
4-(2-chloro-6-fluorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazoline-2-thione
CID 3834083
(11R)-11-(4-chlorophenyl)-12,13,15,17-tetrazatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2,4,6,13,15-hexaene
CID 800663
4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydrobenzo[h]chromen-2-imine
CID 57184658
4-(3,4-dichlorophenyl)-2-(2,5-dioxopyrrolidin-1-yl)-5,6-dihydro-4H-benzo[h]chromene-3-carbonitrile
CID 22918754

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The IUPAC name of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one (CID 46834133) is 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is O=C1NC2=C(CCc3ccccc32)C(c2ccc(Cl)c(Cl)c2)N1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
The InChIKey is ZURMVGLTRWVMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O/c19-14-8-6-11(9-15(14)20)16-13-7-5-10-3-1-2-4-12(10)17(13)22-18(23)21-16/h1-4,6,8-9,16H,5,7H2,(H2,21,22,23).
What are the key properties of 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one?
4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one has a molecular weight of 345.23 g/mol, XLogP of 4.70, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3,4,5,6-tetrahydro-1H-benzo[h]quinazolin-2-one is sourced from PubChem (CID 46834133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).