6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline

C18H19N3 — CID 165007028

IUPAC6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline
SMILESCc1cc2nc(-c3ccccn3)nc(C(C)C)c2cc1C
InChIInChI=1S/C18H19N3/c1-11(2)17-14-9-12(3)13(4)10-16(14)20-18(21-17)15-7-5-6-8-19-15/h5-11H,1-4H3
InChIKeyIZKCVXOASZROQX-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.43
Rot. Bonds2

About 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline

6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline (PubChem CID 165007028) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline.

Molecular Properties

Compound Name6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline
PubChem CID165007028
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline
SMILESCc1cc2nc(-c3ccccn3)nc(C(C)C)c2cc1C
InChIInChI=1S/C18H19N3/c1-11(2)17-14-9-12(3)13(4)10-16(14)20-18(21-17)15-7-5-6-8-19-15/h5-11H,1-4H3
InChIKeyIZKCVXOASZROQX-UHFFFAOYSA-N
XLogP4.43
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline?
The IUPAC name of 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline (CID 165007028) is 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline.
What is the SMILES notation for 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline?
The canonical SMILES for 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline is Cc1cc2nc(-c3ccccn3)nc(C(C)C)c2cc1C.
What is the InChIKey of 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline?
The InChIKey is IZKCVXOASZROQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-11(2)17-14-9-12(3)13(4)10-16(14)20-18(21-17)15-7-5-6-8-19-15/h5-11H,1-4H3.
What are the key properties of 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline?
6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline has a molecular weight of 277.37 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline is sourced from PubChem (CID 165007028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).