3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one

C16H18N2O — CID 58574574

IUPAC3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESC=Cc1ccc2c(=O)n3c(nc2c1)CC(C)(C)CC3
InChIInChI=1S/C16H18N2O/c1-4-11-5-6-12-13(9-11)17-14-10-16(2,3)7-8-18(14)15(12)19/h4-6,9H,1,7-8,10H2,2-3H3
InChIKeyRHOFYXPEFXFBOP-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.01
Rot. Bonds1

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

3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (PubChem CID 58574574) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.

Molecular Properties

Compound Name3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
PubChem CID58574574
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
SMILESC=Cc1ccc2c(=O)n3c(nc2c1)CC(C)(C)CC3
InChIInChI=1S/C16H18N2O/c1-4-11-5-6-12-13(9-11)17-14-10-16(2,3)7-8-18(14)15(12)19/h4-6,9H,1,7-8,10H2,2-3H3
InChIKeyRHOFYXPEFXFBOP-UHFFFAOYSA-N
XLogP3.01
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

7,7-dimethyl-3-[(E)-2-pyridin-2-ylethenyl]-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;7,7-dimethyl-3-(2-pyridin-2-ylethyl)-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one;hydrochloride
CID 159691239
3-methoxy-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112219
3-bromo-7,7-bis(hydroxymethyl)-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112123
6-bromo-2-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;1-ethenyl-3-fluorobenzene;6-[(E)-2-(3-fluorophenyl)ethenyl]-2-methyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 158148738
9-bromo-2-prop-2-enyl-3,4-dihydro-1H-pyrazino[2,1-b]quinazolin-6-one
CID 58574881
3'-pyridin-4-ylspiro[1,3-dioxolane-2,8'-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline]-12'-one
CID 70644951
(8S)-8-methoxy-8-methyl-3-(2-pyridin-2-ylethynyl)-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 67260801
8,8-dimethyl-3-(5-methyl-1,3-thiazol-2-yl)-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112258
4-(12'-oxospiro[1,3-dioxolane-2,8'-6,7,9,10-tetrahydroazepino[2,1-b]quinazoline]-3'-yl)benzonitrile
CID 70644828
3-(5-methoxy-2-pyridinyl)-8,8-dimethyl-7,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one
CID 71112682
8-methyl-3-[(E)-2-pyridin-2-ylethenyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one
CID 58574762
8,8-difluoro-9-methyl-3-[(E)-2-pyridin-2-ylethenyl]-6,7,9,10-tetrahydroazepino[2,1-b]quinazolin-12-one
CID 89285290

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The IUPAC name of 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one (CID 58574574) is 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one.
What is the SMILES notation for 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The canonical SMILES for 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is C=Cc1ccc2c(=O)n3c(nc2c1)CC(C)(C)CC3.
What is the InChIKey of 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
The InChIKey is RHOFYXPEFXFBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-4-11-5-6-12-13(9-11)17-14-10-16(2,3)7-8-18(14)15(12)19/h4-6,9H,1,7-8,10H2,2-3H3.
What are the key properties of 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one?
3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one has a molecular weight of 254.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-7,7-dimethyl-8,9-dihydro-6H-pyrido[2,1-b]quinazolin-11-one is sourced from PubChem (CID 58574574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).