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

C18H19N3OS — CID 71112258

IUPAC8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCc1cnc(-c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1
InChIInChI=1S/C18H19N3OS/c1-11-9-19-16(23-11)12-4-5-13-14(8-12)20-15-6-7-18(2,3)10-21(15)17(13)22/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyKUMYRXWMZKWNLL-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.80
Rot. Bonds1

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

8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 71112258) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID71112258
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESCc1cnc(-c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1
InChIInChI=1S/C18H19N3OS/c1-11-9-19-16(23-11)12-4-5-13-14(8-12)20-15-6-7-18(2,3)10-21(15)17(13)22/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyKUMYRXWMZKWNLL-UHFFFAOYSA-N
XLogP3.80
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112682
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-(2-pyridin-2-ylacetyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112086
8-fluoro-8-methyl-3-pyridin-2-yl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112053
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-(1-pyridin-2-ylethoxy)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112100
8,8-dimethyl-3-(2-pyridin-2-ylpropyl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112621
3'-pyridin-4-ylspiro[1,3-dioxolane-2,8'-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline]-12'-one
CID 70644951
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
3'-(3-methyl-4-pyridinyl)spiro[1,3-dioxolane-2,8'-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline]-12'-one
CID 70644735
5-(5-methyl-1,3-thiazol-2-yl)-2H-indazole-3-carbaldehyde
CID 88928943

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 71112258) is 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is Cc1cnc(-c2ccc3c(=O)n4c(nc3c2)CCC(C)(C)C4)s1.
What is the InChIKey of 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is KUMYRXWMZKWNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-9-19-16(23-11)12-4-5-13-14(8-12)20-15-6-7-18(2,3)10-21(15)17(13)22/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 325.44 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 71112258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).