1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline

C17H20N2 — CID 132540170

IUPAC1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline
SMILESCc1ccc(C2N(C)Cc3ccccc3N2C)cc1
InChIInChI=1S/C17H20N2/c1-13-8-10-14(11-9-13)17-18(2)12-15-6-4-5-7-16(15)19(17)3/h4-11,17H,12H2,1-3H3
InChIKeyXIYDJURJHKTYIO-UHFFFAOYSA-N
MW252.36 g/mol
LogP3.58
Rot. Bonds1

About 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline

1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline (PubChem CID 132540170) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline.

Molecular Properties

Compound Name1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline
PubChem CID132540170
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline
SMILESCc1ccc(C2N(C)Cc3ccccc3N2C)cc1
InChIInChI=1S/C17H20N2/c1-13-8-10-14(11-9-13)17-18(2)12-15-6-4-5-7-16(15)19(17)3/h4-11,17H,12H2,1-3H3
InChIKeyXIYDJURJHKTYIO-UHFFFAOYSA-N
XLogP3.58
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline?
The IUPAC name of 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline (CID 132540170) is 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline.
What is the SMILES notation for 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline?
The canonical SMILES for 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline is Cc1ccc(C2N(C)Cc3ccccc3N2C)cc1.
What is the InChIKey of 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline?
The InChIKey is XIYDJURJHKTYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2/c1-13-8-10-14(11-9-13)17-18(2)12-15-6-4-5-7-16(15)19(17)3/h4-11,17H,12H2,1-3H3.
What are the key properties of 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline?
1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline has a molecular weight of 252.36 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-(4-methylphenyl)-2,4-dihydroquinazoline is sourced from PubChem (CID 132540170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).