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

C14H20N2O3 — CID 136963703

IUPAC2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-14(6-8-19-9-7-14)13-15-11-5-3-2-4-10(11)12(17)16-13/h2-9H2,1H3,(H,15,16,17)
InChIKeyQTHMOKRALUGFQW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.30
Rot. Bonds2

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

2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136963703) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136963703
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-18-14(6-8-19-9-7-14)13-15-11-5-3-2-4-10(11)12(17)16-13/h2-9H2,1H3,(H,15,16,17)
InChIKeyQTHMOKRALUGFQW-UHFFFAOYSA-N
XLogP1.30
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2-(1-ethoxyethenyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 143679497
2-(propoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135973728
2-(oxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136033614
2-(ethoxymethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136233879
2-(1,4-dioxan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136276318
2-(1-ethoxyethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136276391
2-(1-methoxyethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136283812
2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136286945
5-ethyl-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287893
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136287897
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136287898
2-(2-Methyloxan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136287907

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136963703) is 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is COC1(c2nc3c(c(=O)[nH]2)CCCC3)CCOCC1.
What is the InChIKey of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is QTHMOKRALUGFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-18-14(6-8-19-9-7-14)13-15-11-5-3-2-4-10(11)12(17)16-13/h2-9H2,1H3,(H,15,16,17).
What are the key properties of 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 264.32 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136963703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).