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

C14H14Cl2N2O — CID 58574491

IUPAC1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(Cl)cc(Cl)c3c(=O)n2C1
InChIInChI=1S/C14H14Cl2N2O/c1-14(2)4-3-11-17-10-6-8(15)5-9(16)12(10)13(19)18(11)7-14/h5-6H,3-4,7H2,1-2H3
InChIKeyZXWLMOPZNJENIA-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.68
Rot. Bonds

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

1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 58574491) has the molecular formula C14H14Cl2N2O and a molecular weight of 297.19 g/mol. Its IUPAC name is 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID58574491
Molecular FormulaC14H14Cl2N2O
Molecular Weight297.19 g/mol
Exact Mass296.05
IUPAC Name1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(Cl)cc(Cl)c3c(=O)n2C1
InChIInChI=1S/C14H14Cl2N2O/c1-14(2)4-3-11-17-10-6-8(15)5-9(16)12(10)13(19)18(11)7-14/h5-6H,3-4,7H2,1-2H3
InChIKeyZXWLMOPZNJENIA-UHFFFAOYSA-N
XLogP3.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 58574491) is 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(Cl)cc(Cl)c3c(=O)n2C1.
What is the InChIKey of 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is ZXWLMOPZNJENIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O/c1-14(2)4-3-11-17-10-6-8(15)5-9(16)12(10)13(19)18(11)7-14/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 297.19 g/mol, XLogP of 3.68, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 58574491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).