4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline

C16H18ClN3 — CID 89415537

IUPAC4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline
SMILESCc1cccc(-c2nc(Cl)c3c(n2)CCC(C)(C)C3)n1
InChIInChI=1S/C16H18ClN3/c1-10-5-4-6-13(18-10)15-19-12-7-8-16(2,3)9-11(12)14(17)20-15/h4-6H,7-9H2,1-3H3
InChIKeyWXOLSCPBKQIIDZ-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.02
Rot. Bonds1

About 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline

4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline (PubChem CID 89415537) has the molecular formula C16H18ClN3 and a molecular weight of 287.79 g/mol. Its IUPAC name is 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline.

Molecular Properties

Compound Name4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline
PubChem CID89415537
Molecular FormulaC16H18ClN3
Molecular Weight287.79 g/mol
Exact Mass287.12
IUPAC Name4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline
SMILESCc1cccc(-c2nc(Cl)c3c(n2)CCC(C)(C)C3)n1
InChIInChI=1S/C16H18ClN3/c1-10-5-4-6-13(18-10)15-19-12-7-8-16(2,3)9-11(12)14(17)20-15/h4-6H,7-9H2,1-3H3
InChIKeyWXOLSCPBKQIIDZ-UHFFFAOYSA-N
XLogP4.02
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline?
The IUPAC name of 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline (CID 89415537) is 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline.
What is the SMILES notation for 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline?
The canonical SMILES for 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline is Cc1cccc(-c2nc(Cl)c3c(n2)CCC(C)(C)C3)n1.
What is the InChIKey of 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline?
The InChIKey is WXOLSCPBKQIIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3/c1-10-5-4-6-13(18-10)15-19-12-7-8-16(2,3)9-11(12)14(17)20-15/h4-6H,7-9H2,1-3H3.
What are the key properties of 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline?
4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline has a molecular weight of 287.79 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6,6-dimethyl-2-(6-methyl-2-pyridinyl)-7,8-dihydro-5H-quinazoline is sourced from PubChem (CID 89415537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).