3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile

C15H10ClN3O — CID 2324588

IUPAC3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile
SMILESCc1cc(C)n2c(=O)c3ccc(Cl)cc3nc2c1C#N
InChIInChI=1S/C15H10ClN3O/c1-8-5-9(2)19-14(12(8)7-17)18-13-6-10(16)3-4-11(13)15(19)20/h3-6H,1-2H3
InChIKeyYYRGWZYZEGFSPL-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.99
Rot. Bonds

About 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile

3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile (PubChem CID 2324588) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile.

Molecular Properties

Compound Name3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile
PubChem CID2324588
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile
SMILESCc1cc(C)n2c(=O)c3ccc(Cl)cc3nc2c1C#N
InChIInChI=1S/C15H10ClN3O/c1-8-5-9(2)19-14(12(8)7-17)18-13-6-10(16)3-4-11(13)15(19)20/h3-6H,1-2H3
InChIKeyYYRGWZYZEGFSPL-UHFFFAOYSA-N
XLogP2.99
TPSA58.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile?
The IUPAC name of 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile (CID 2324588) is 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile.
What is the SMILES notation for 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile?
The canonical SMILES for 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile is Cc1cc(C)n2c(=O)c3ccc(Cl)cc3nc2c1C#N.
What is the InChIKey of 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile?
The InChIKey is YYRGWZYZEGFSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-8-5-9(2)19-14(12(8)7-17)18-13-6-10(16)3-4-11(13)15(19)20/h3-6H,1-2H3.
What are the key properties of 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile?
3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile has a molecular weight of 283.72 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-7,9-dimethyl-11-oxopyrido[2,1-b]quinazoline-6-carbonitrile is sourced from PubChem (CID 2324588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).