8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C21H21N3O2 — CID 71112086

IUPAC8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(C(=O)Cc4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C21H21N3O2/c1-21(2)9-8-19-23-17-11-14(6-7-16(17)20(26)24(19)13-21)18(25)12-15-5-3-4-10-22-15/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKeySKUJEJJOSYWXSF-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.19
Rot. Bonds3

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

8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112086) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112086
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCC1(C)CCc2nc3cc(C(=O)Cc4ccccn4)ccc3c(=O)n2C1
InChIInChI=1S/C21H21N3O2/c1-21(2)9-8-19-23-17-11-14(6-7-16(17)20(26)24(19)13-21)18(25)12-15-5-3-4-10-22-15/h3-7,10-11H,8-9,12-13H2,1-2H3
InChIKeySKUJEJJOSYWXSF-UHFFFAOYSA-N
XLogP3.19
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one with MolForge

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Launch Full Analysis

Related Compounds

3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71488829
8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112621
8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112100
3-(1-fluoro-3-pyridin-2-ylprop-2-ynyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112870
8,8-dimethyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112145
3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112219
8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112258
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112682
8,8-difluoro-3-(2-oxo-2-pyridin-2-ylethyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one;8,8-difluoro-12-oxo-N-pyridin-2-yl-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline-3-carboxamide;N-(8,8-dimethyl-11-oxo-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-3-yl)-N-methylpyridine-2-carboxamide;2,2-dimethyl-9-oxo-N-pyridin-2-yl-1,3-dihydropyrrolo[2,1-b]quinazoline-6-carboxamide;8,8-dimethyl-3-(2-oxo-2-pyridin-2-ylethyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;2,2-dimethyl-6-(2-oxo-2-pyridin-2-ylethyl)-1,3-dihydropyrrolo[2,1-b]quinazolin-9-one;bis(8,8-dimethyl-3-phenacyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one);N,8,8-trimethyl-11-oxo-N-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazoline-3-carboxamide
CID 161235529
8-cyclopropyl-8-methyl-3-(2-pyridin-2-ylethynyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 90249508
8,8-dimethyl-3-[2-(3-methylphenyl)ethynyl]-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;methane;7-methyl-3-(2-pyridin-2-ylethynyl)-6,7,8,9-tetrahydropyrido[2,1-b]quinazolin-11-one
CID 161270914

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112086) is 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is CC1(C)CCc2nc3cc(C(=O)Cc4ccccn4)ccc3c(=O)n2C1.
What is the InChIKey of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is SKUJEJJOSYWXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-21(2)9-8-19-23-17-11-14(6-7-16(17)20(26)24(19)13-21)18(25)12-15-5-3-4-10-22-15/h3-7,10-11H,8-9,12-13H2,1-2H3.
What are the key properties of 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 347.42 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).