6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline

C19H14Cl2N2 — CID 3344455

IUPAC6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
SMILESCc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C19H14Cl2N2/c1-11-22-10-13-8-16(12-6-7-17(20)18(21)9-12)14-4-2-3-5-15(14)19(13)23-11/h2-7,9-10,16H,8H2,1H3
InChIKeyFIYMKYMGVVYCBM-UHFFFAOYSA-N
MW341.24 g/mol
LogP5.45
Rot. Bonds1

About 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline

6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline (PubChem CID 3344455) has the molecular formula C19H14Cl2N2 and a molecular weight of 341.24 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
PubChem CID3344455
Molecular FormulaC19H14Cl2N2
Molecular Weight341.24 g/mol
Exact Mass340.05
IUPAC Name6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline
SMILESCc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2
InChIInChI=1S/C19H14Cl2N2/c1-11-22-10-13-8-16(12-6-7-17(20)18(21)9-12)14-4-2-3-5-15(14)19(13)23-11/h2-7,9-10,16H,8H2,1H3
InChIKeyFIYMKYMGVVYCBM-UHFFFAOYSA-N
XLogP5.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline (CID 3344455) is 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline is Cc1ncc2c(n1)-c1ccccc1C(c1ccc(Cl)c(Cl)c1)C2.
What is the InChIKey of 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is FIYMKYMGVVYCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2/c1-11-22-10-13-8-16(12-6-7-17(20)18(21)9-12)14-4-2-3-5-15(14)19(13)23-11/h2-7,9-10,16H,8H2,1H3.
What are the key properties of 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline?
6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 341.24 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)-2-methyl-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 3344455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).