10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

C13H10ClN3O — CID 13133571

IUPAC10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
SMILESCc1ncc2c(n1)-c1cc(Cl)ccc1NC(=O)C2
InChIInChI=1S/C13H10ClN3O/c1-7-15-6-8-4-12(18)17-11-3-2-9(14)5-10(11)13(8)16-7/h2-3,5-6H,4H2,1H3,(H,17,18)
InChIKeyFBNCXUFOEYIGHJ-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.60
Rot. Bonds

About 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one

10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one (PubChem CID 13133571) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one.

Molecular Properties

Compound Name10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
PubChem CID13133571
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one
SMILESCc1ncc2c(n1)-c1cc(Cl)ccc1NC(=O)C2
InChIInChI=1S/C13H10ClN3O/c1-7-15-6-8-4-12(18)17-11-3-2-9(14)5-10(11)13(8)16-7/h2-3,5-6H,4H2,1H3,(H,17,18)
InChIKeyFBNCXUFOEYIGHJ-UHFFFAOYSA-N
XLogP2.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The IUPAC name of 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one (CID 13133571) is 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one.
What is the SMILES notation for 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The canonical SMILES for 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one is Cc1ncc2c(n1)-c1cc(Cl)ccc1NC(=O)C2.
What is the InChIKey of 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
The InChIKey is FBNCXUFOEYIGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-7-15-6-8-4-12(18)17-11-3-2-9(14)5-10(11)13(8)16-7/h2-3,5-6H,4H2,1H3,(H,17,18).
What are the key properties of 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one?
10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one has a molecular weight of 259.70 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-chloro-2-methyl-5,7-dihydropyrimido[5,4-d][1]benzazepin-6-one is sourced from PubChem (CID 13133571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).