(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

C18H15N3 — CID 51346202

IUPAC(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1ncc2c(n1)-c1ccccc1[C@H](c1ccccc1)C2
InChIInChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1
InChIKeyBMOQBIIJPJVMDI-INIZCTEOSA-N
MW273.34 g/mol
LogP3.41
Rot. Bonds1

About (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine

(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 51346202) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID51346202
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1ncc2c(n1)-c1ccccc1[C@H](c1ccccc1)C2
InChIInChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1
InChIKeyBMOQBIIJPJVMDI-INIZCTEOSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 51346202) is (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1ncc2c(n1)-c1ccccc1[C@H](c1ccccc1)C2.
What is the InChIKey of (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is BMOQBIIJPJVMDI-INIZCTEOSA-N. The full InChI is InChI=1S/C18H15N3/c19-18-20-11-13-10-16(12-6-2-1-3-7-12)14-8-4-5-9-15(14)17(13)21-18/h1-9,11,16H,10H2,(H2,19,20,21)/t16-/m0/s1.
What are the key properties of (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine?
(6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 273.34 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-phenyl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 51346202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).