6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline

C21H19ClN2O — CID 15566168

IUPAC6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1
InChIInChI=1S/C21H19ClN2O/c1-25-17-10-7-15(8-11-17)21-23-19-12-9-16(22)13-18(19)20(24-21)14-5-3-2-4-6-14/h2-13,20-21,23-24H,1H3
InChIKeyLXIKRIYWGKTBCH-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.15
Rot. Bonds3

About 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline

6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline (PubChem CID 15566168) has the molecular formula C21H19ClN2O and a molecular weight of 350.85 g/mol. Its IUPAC name is 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline.

Molecular Properties

Compound Name6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
PubChem CID15566168
Molecular FormulaC21H19ClN2O
Molecular Weight350.85 g/mol
Exact Mass350.12
IUPAC Name6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
SMILESCOc1ccc(C2Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1
InChIInChI=1S/C21H19ClN2O/c1-25-17-10-7-15(8-11-17)21-23-19-12-9-16(22)13-18(19)20(24-21)14-5-3-2-4-6-14/h2-13,20-21,23-24H,1H3
InChIKeyLXIKRIYWGKTBCH-UHFFFAOYSA-N
XLogP5.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The IUPAC name of 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline (CID 15566168) is 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline.
What is the SMILES notation for 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The canonical SMILES for 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline is COc1ccc(C2Nc3ccc(Cl)cc3C(c3ccccc3)N2)cc1.
What is the InChIKey of 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
The InChIKey is LXIKRIYWGKTBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O/c1-25-17-10-7-15(8-11-17)21-23-19-12-9-16(22)13-18(19)20(24-21)14-5-3-2-4-6-14/h2-13,20-21,23-24H,1H3.
What are the key properties of 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline?
6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline has a molecular weight of 350.85 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline is sourced from PubChem (CID 15566168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).