8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one

C19H22N4O — CID 57195132

IUPAC8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1CC(=NNc2ccccc2)c2nc3c(c(=O)n2C1)CCCC3
InChIInChI=1S/C19H22N4O/c1-13-11-17(22-21-14-7-3-2-4-8-14)18-20-16-10-6-5-9-15(16)19(24)23(18)12-13/h2-4,7-8,13,21H,5-6,9-12H2,1H3
InChIKeyBKTLEEJXLVYLPX-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.98
Rot. Bonds2

About 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one

8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 57195132) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one
PubChem CID57195132
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1CC(=NNc2ccccc2)c2nc3c(c(=O)n2C1)CCCC3
InChIInChI=1S/C19H22N4O/c1-13-11-17(22-21-14-7-3-2-4-8-14)18-20-16-10-6-5-9-15(16)19(24)23(18)12-13/h2-4,7-8,13,21H,5-6,9-12H2,1H3
InChIKeyBKTLEEJXLVYLPX-UHFFFAOYSA-N
XLogP2.98
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one (CID 57195132) is 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one is CC1CC(=NNc2ccccc2)c2nc3c(c(=O)n2C1)CCCC3.
What is the InChIKey of 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is BKTLEEJXLVYLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-11-17(22-21-14-7-3-2-4-8-14)18-20-16-10-6-5-9-15(16)19(24)23(18)12-13/h2-4,7-8,13,21H,5-6,9-12H2,1H3.
What are the key properties of 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one?
8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 322.41 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-(phenylhydrazinylidene)-2,3,4,7,8,9-hexahydro-1H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 57195132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).