3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C20H21N3O2 — CID 71112682

IUPAC3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCOc1ccc(-c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)nc1
InChIInChI=1S/C20H21N3O2/c1-20(2)9-8-18-22-17-10-13(16-7-5-14(25-3)11-21-16)4-6-15(17)19(24)23(18)12-20/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyIYBMFLABCHCUAC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.44
Rot. Bonds2

About 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112682) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112682
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCOc1ccc(-c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)nc1
InChIInChI=1S/C20H21N3O2/c1-20(2)9-8-18-22-17-10-13(16-7-5-14(25-3)11-21-16)4-6-15(17)19(24)23(18)12-20/h4-7,10-11H,8-9,12H2,1-3H3
InChIKeyIYBMFLABCHCUAC-UHFFFAOYSA-N
XLogP3.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one with MolForge

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Launch Full Analysis

Related Compounds

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
8,8-dimethyl-3-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112100
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
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
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-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112086
3-[2-(2,5-difluoro-4-pyridinyl)ethynyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 90249528
3-[(Z)-1-chloro-2-pyridin-2-ylethenyl]-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71488829
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
2-(4-methoxyphenoxy)ethyl 12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxylate
CID 2647094
1,3-dichloro-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 58574491

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112682) is 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is COc1ccc(-c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)nc1.
What is the InChIKey of 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is IYBMFLABCHCUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-20(2)9-8-18-22-17-10-13(16-7-5-14(25-3)11-21-16)4-6-15(17)19(24)23(18)12-20/h4-7,10-11H,8-9,12H2,1-3H3.
What are the key properties of 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 335.41 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).