2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline

C25H18Cl2N2O — CID 11838916

IUPAC2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C25H18Cl2N2O/c1-30-20-11-13-21-17(14-20)6-12-22-23(15-2-7-18(26)8-3-15)28-25(29-24(21)22)16-4-9-19(27)10-5-16/h2-5,7-11,13-14H,6,12H2,1H3
InChIKeyYATXKXFJEHQJHO-UHFFFAOYSA-N
MW433.34 g/mol
LogP6.89
Rot. Bonds3

About 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline

2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline (PubChem CID 11838916) has the molecular formula C25H18Cl2N2O and a molecular weight of 433.34 g/mol. Its IUPAC name is 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline
PubChem CID11838916
Molecular FormulaC25H18Cl2N2O
Molecular Weight433.34 g/mol
Exact Mass432.08
IUPAC Name2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline
SMILESCOc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2
InChIInChI=1S/C25H18Cl2N2O/c1-30-20-11-13-21-17(14-20)6-12-22-23(15-2-7-18(26)8-3-15)28-25(29-24(21)22)16-4-9-19(27)10-5-16/h2-5,7-11,13-14H,6,12H2,1H3
InChIKeyYATXKXFJEHQJHO-UHFFFAOYSA-N
XLogP6.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.34
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 1480507
2-Tert-butyl-7-(2-chlorophenyl)-6-(4-chlorophenyl)-4-methoxypyrido[2,3-d]pyrimidine
CID 25096565
6-(4-Methoxyphenyl)-5-methyl-5,6-dihydrobenzo[h]quinazoline-2,4-diamine
CID 44531964
7-Chloro-4-(3-methoxyphenyl)-2-(3-methylphenyl)quinazoline
CID 50911054
N-[[3-(4-chlorophenyl)-4-methoxyphenyl]methyl]-2-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[h]quinazolin-4-amine
CID 127036982
4-(4-chlorophenyl)-2-ethyl-6-[[4-(trifluoromethoxy)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 134791727
8-methoxy-2,5,5-trimethyl-6H-benzo[h]quinazolin-4-amine
CID 162646658
4-Chloro-6-(4-methoxyphenyl)-2-(3-methylphenyl)pyrimidine-5-carbonitrile
CID 1487107
(8E)-4-(4-methoxyphenyl)-8-[(4-methoxyphenyl)methylidene]-2-methyl-6,7-dihydro-5H-quinazoline
CID 76332414
4-(2-Amino-8-methoxy-5,6-dihydrobenzo[h]quinazolin-4-yl)phenol
CID 136260486
9-Methoxy-4-[4-methoxy-2-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 168277594
9-Methoxy-4-[4-methoxy-3-(trifluoromethyl)phenyl]-5,6-dihydrobenzo[h]quinazolin-2-amine
CID 168283340

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline (CID 11838916) is 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline is COc1ccc2c(c1)CCc1c(-c3ccc(Cl)cc3)nc(-c3ccc(Cl)cc3)nc1-2.
What is the InChIKey of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is YATXKXFJEHQJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18Cl2N2O/c1-30-20-11-13-21-17(14-20)6-12-22-23(15-2-7-18(26)8-3-15)28-25(29-24(21)22)16-4-9-19(27)10-5-16/h2-5,7-11,13-14H,6,12H2,1H3.
What are the key properties of 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline?
2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 433.34 g/mol, XLogP of 6.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-chlorophenyl)-8-methoxy-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 11838916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).