2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline

C19H16N2 — CID 123894743

IUPAC2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline
SMILESCc1ccc(-c2ncc3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C19H16N2/c1-13-6-8-15(9-7-13)19-20-12-16-11-10-14-4-2-3-5-17(14)18(16)21-19/h2-9,12H,10-11H2,1H3
InChIKeyHYYJCNPPGVXEIQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.22
Rot. Bonds1

About 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline

2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline (PubChem CID 123894743) has the molecular formula C19H16N2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline.

Molecular Properties

Compound Name2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline
PubChem CID123894743
Molecular FormulaC19H16N2
Molecular Weight272.35 g/mol
Exact Mass272.13
IUPAC Name2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline
SMILESCc1ccc(-c2ncc3c(n2)-c2ccccc2CC3)cc1
InChIInChI=1S/C19H16N2/c1-13-6-8-15(9-7-13)19-20-12-16-11-10-14-4-2-3-5-17(14)18(16)21-19/h2-9,12H,10-11H2,1H3
InChIKeyHYYJCNPPGVXEIQ-UHFFFAOYSA-N
XLogP4.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline 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-(4-methylphenyl)-5,6-dihydrocyclopenta[d]pyrimidin-7-one
CID 83891684
3-methyl-5,6-dihydrobenzo[h]quinoline
CID 59294831
N-[amino-[7-hydroxy-2-(4-methylphenyl)-5,6-dihydroquinazolin-8-yl]methylidene]benzamide
CID 137182664
12-methyl-13-azapentacyclo[12.8.0.02,11.03,8.015,20]docosa-1,3,5,7,11,13,15,17,19-nonaene
CID 14448103
4-chloro-2-(4-chlorophenyl)-5,6-dihydrobenzo[h]quinazoline
CID 10639883
3,5-diazatricyclo[11.4.0.02,7]heptadeca-1(17),2,4,6,13,15-hexaen-4-amine
CID 142710262
N-ethyl-3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-amine
CID 70893950
5-(4-methylphenyl)-2-phenylpyrimidin-4-amine
CID 62900567
2-(4-chlorophenyl)-8-methylsulfonyl-5,6-dihydropyrimido[4,5-f]quinazoline
CID 57251224
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
2-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinazoline
CID 123285383
2-methyl-5,6-dihydrobenzo[f]isoquinoline-1-carbothioamide
CID 70704168

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline?
The IUPAC name of 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline (CID 123894743) is 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline.
What is the SMILES notation for 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline?
The canonical SMILES for 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline is Cc1ccc(-c2ncc3c(n2)-c2ccccc2CC3)cc1.
What is the InChIKey of 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline?
The InChIKey is HYYJCNPPGVXEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2/c1-13-6-8-15(9-7-13)19-20-12-16-11-10-14-4-2-3-5-17(14)18(16)21-19/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline?
2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline has a molecular weight of 272.35 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-5,6-dihydrobenzo[h]quinazoline is sourced from PubChem (CID 123894743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).