3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C15H18N2O2 — CID 71112219

IUPAC3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCOc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3
InChIInChI=1S/C15H18N2O2/c1-15(2)7-6-13-16-12-8-10(19-3)4-5-11(12)14(18)17(13)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyJLRBSPVZOULKKX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.38
Rot. Bonds1

About 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112219) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112219
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCOc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3
InChIInChI=1S/C15H18N2O2/c1-15(2)7-6-13-16-12-8-10(19-3)4-5-11(12)14(18)17(13)9-15/h4-5,8H,6-7,9H2,1-3H3
InChIKeyJLRBSPVZOULKKX-UHFFFAOYSA-N
XLogP2.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112219) is 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is COc1ccc2c(=O)n3c(nc2c1)CCC(C)(C)C3.
What is the InChIKey of 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is JLRBSPVZOULKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2)7-6-13-16-12-8-10(19-3)4-5-11(12)14(18)17(13)9-15/h4-5,8H,6-7,9H2,1-3H3.
What are the key properties of 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 258.32 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).