4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

C14H16N2O — CID 3403543

IUPAC4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCc1cccc2c(=O)n3c(nc12)CCCCC3
InChIInChI=1S/C14H16N2O/c1-10-6-5-7-11-13(10)15-12-8-3-2-4-9-16(12)14(11)17/h5-7H,2-4,8-9H2,1H3
InChIKeyKVZGXTYBFMHCMT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.43
Rot. Bonds

About 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (PubChem CID 3403543) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.

Molecular Properties

Compound Name4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
PubChem CID3403543
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
SMILESCc1cccc2c(=O)n3c(nc12)CCCCC3
InChIInChI=1S/C14H16N2O/c1-10-6-5-7-11-13(10)15-12-8-3-2-4-9-16(12)14(11)17/h5-7H,2-4,8-9H2,1H3
InChIKeyKVZGXTYBFMHCMT-UHFFFAOYSA-N
XLogP2.43
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The IUPAC name of 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one (CID 3403543) is 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one.
What is the SMILES notation for 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The canonical SMILES for 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is Cc1cccc2c(=O)n3c(nc12)CCCCC3.
What is the InChIKey of 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
The InChIKey is KVZGXTYBFMHCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-6-5-7-11-13(10)15-12-8-3-2-4-9-16(12)14(11)17/h5-7H,2-4,8-9H2,1H3.
What are the key properties of 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one?
4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one has a molecular weight of 228.30 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one is sourced from PubChem (CID 3403543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).