2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C15H24N2O2 — CID 136963704

IUPAC2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC(CC)(CC)c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C15H24N2O2/c1-4-15(5-2,19-6-3)14-16-12-10-8-7-9-11(12)13(18)17-14/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyXHVIKNHMAGZUBB-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.70
Rot. Bonds5

About 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136963704) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136963704
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC(CC)(CC)c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C15H24N2O2/c1-4-15(5-2,19-6-3)14-16-12-10-8-7-9-11(12)13(18)17-14/h4-10H2,1-3H3,(H,16,17,18)
InChIKeyXHVIKNHMAGZUBB-UHFFFAOYSA-N
XLogP2.70
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136890416
ethyl 4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-2-carboxylate
CID 136014418
2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 143679497
Ethane;2-(1-ethoxyethenyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 143679727
4-(1-Ethoxyethenyl)-3,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3-dien-6-one
CID 145472352
5-butyl-2-(methoxymethyl)-4-methyl-1H-pyrimidin-6-one
CID 150994228
2-(propoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135973728
2-(Methoxymethyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975235
2-(Propoxymethyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975244
2-(2-methoxyethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136043706
2-(methoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136140598
methyl 4-oxo-5,6,7,8-tetrahydro-3H-quinazoline-2-carboxylate
CID 136220231

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136963704) is 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOC(CC)(CC)c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is XHVIKNHMAGZUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-15(5-2,19-6-3)14-16-12-10-8-7-9-11(12)13(18)17-14/h4-10H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 264.37 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypentan-3-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136963704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).