4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline

C17H14Cl2N2 — CID 63496784

IUPAC4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
SMILESCC(C)c1ccc(-c2nc(Cl)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H14Cl2N2/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(18)9-14(15)16(19)21-17/h3-10H,1-2H3
InChIKeyQIYYFQNTJWPZBD-UHFFFAOYSA-N
MW317.22 g/mol
LogP5.73
Rot. Bonds2

About 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline

4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline (PubChem CID 63496784) has the molecular formula C17H14Cl2N2 and a molecular weight of 317.22 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
PubChem CID63496784
Molecular FormulaC17H14Cl2N2
Molecular Weight317.22 g/mol
Exact Mass316.05
IUPAC Name4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
SMILESCC(C)c1ccc(-c2nc(Cl)c3cc(Cl)ccc3n2)cc1
InChIInChI=1S/C17H14Cl2N2/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(18)9-14(15)16(19)21-17/h3-10H,1-2H3
InChIKeyQIYYFQNTJWPZBD-UHFFFAOYSA-N
XLogP5.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.22
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline?
The IUPAC name of 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline (CID 63496784) is 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline.
What is the SMILES notation for 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline?
The canonical SMILES for 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline is CC(C)c1ccc(-c2nc(Cl)c3cc(Cl)ccc3n2)cc1.
What is the InChIKey of 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline?
The InChIKey is QIYYFQNTJWPZBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N2/c1-10(2)11-3-5-12(6-4-11)17-20-15-8-7-13(18)9-14(15)16(19)21-17/h3-10H,1-2H3.
What are the key properties of 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline?
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline has a molecular weight of 317.22 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline is sourced from PubChem (CID 63496784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).