4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C18H15N3 — CID 13396949

IUPAC4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2
InChIInChI=1S/C18H15N3/c19-18-20-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)21-18/h1-9H,10-11H2,(H2,19,20,21)
InChIKeyFDHYRRFKEAUQLP-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.49
Rot. Bonds1

About 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 13396949) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID13396949
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2
InChIInChI=1S/C18H15N3/c19-18-20-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)21-18/h1-9H,10-11H2,(H2,19,20,21)
InChIKeyFDHYRRFKEAUQLP-UHFFFAOYSA-N
XLogP3.49
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 13396949) is 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1CC2.
What is the InChIKey of 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is FDHYRRFKEAUQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c19-18-20-16(13-7-2-1-3-8-13)15-11-10-12-6-4-5-9-14(12)17(15)21-18/h1-9H,10-11H2,(H2,19,20,21).
What are the key properties of 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 13396949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).