6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one

C17H15N3O — CID 135453196

IUPAC6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
SMILESCCC1Nc2ccccc2-c2nc3ccccc3c(=O)n21
InChIInChI=1S/C17H15N3O/c1-2-15-18-13-9-5-3-7-11(13)16-19-14-10-6-4-8-12(14)17(21)20(15)16/h3-10,15,18H,2H2,1H3
InChIKeyKNIQUQLOLIQNFU-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.40
Rot. Bonds1

About 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one

6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one (PubChem CID 135453196) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one.

Molecular Properties

Compound Name6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
PubChem CID135453196
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
SMILESCCC1Nc2ccccc2-c2nc3ccccc3c(=O)n21
InChIInChI=1S/C17H15N3O/c1-2-15-18-13-9-5-3-7-11(13)16-19-14-10-6-4-8-12(14)17(21)20(15)16/h3-10,15,18H,2H2,1H3
InChIKeyKNIQUQLOLIQNFU-UHFFFAOYSA-N
XLogP3.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-ethyl-3-propan-2-yl-2,3-dihydro-1H-imidazo[5,1-b]quinazolin-9-one
CID 122390271
3-cyclopropyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735050
2-chloro-6-(4-methylphenyl)-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one
CID 137185607
3-cyclopentyl-2-[2-[(E)-2-phenylethenyl]phenyl]quinazolin-4-one
CID 118735055
2-chloro-3-piperidin-4-ylquinazolin-4-one
CID 117263485
3-ethyl-2-phenylquinazolin-4-one
CID 12626608
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
(1R)-1-(4-methoxyphenyl)-1,2-dihydroimidazo[5,1-b]quinazoline-3,9-dione
CID 71497850
3-[(2R,4S)-2-methylpiperidin-4-yl]-2-pyridin-2-ylquinazolin-4-one
CID 175840653
2-methyl-3-(3-piperidin-4-ylpropyl)quinazolin-4-one
CID 20717835
2-[2-[(E)-2-phenylethenyl]phenyl]-3-propylquinazolin-4-one
CID 118735048
3-ethyl-2-[[(3S)-2-oxo-1,3-dihydroindol-3-yl]methyl]quinazolin-4-one
CID 7385500

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
The IUPAC name of 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one (CID 135453196) is 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one.
What is the SMILES notation for 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
The canonical SMILES for 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one is CCC1Nc2ccccc2-c2nc3ccccc3c(=O)n21.
What is the InChIKey of 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
The InChIKey is KNIQUQLOLIQNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-2-15-18-13-9-5-3-7-11(13)16-19-14-10-6-4-8-12(14)17(21)20(15)16/h3-10,15,18H,2H2,1H3.
What are the key properties of 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one?
6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one has a molecular weight of 277.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5,6-dihydroquinazolino[4,3-b]quinazolin-8-one is sourced from PubChem (CID 135453196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).