3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one

C14H14N2O2 — CID 166465371

IUPAC3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1=CCOCC1
InChIInChI=1S/C14H14N2O2/c17-14-12-3-1-2-4-13(12)15-10-16(14)9-11-5-7-18-8-6-11/h1-5,10H,6-9H2
InChIKeyNJUPYGFHCBCHBT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.74
Rot. Bonds2

About 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one

3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one (PubChem CID 166465371) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one
PubChem CID166465371
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one
SMILESO=c1c2ccccc2ncn1CC1=CCOCC1
InChIInChI=1S/C14H14N2O2/c17-14-12-3-1-2-4-13(12)15-10-16(14)9-11-5-7-18-8-6-11/h1-5,10H,6-9H2
InChIKeyNJUPYGFHCBCHBT-UHFFFAOYSA-N
XLogP1.74
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methylphenyl)methyl]quinazolin-4-one
CID 852117
3-(oxiran-2-ylmethyl)quinazolin-4-one
CID 12905622
3-(2-chloroethyl)quinazolin-4-one
CID 4518743
3-propylquinazolin-4-one
CID 529124
3-(1,3-benzothiazol-2-ylmethyl)quinazolin-4-one
CID 2362738
3-[(2-phenylphenyl)methyl]quinazolin-4-one
CID 174752260
6-(3,6-dihydro-2H-pyran-4-yl)-3-[2-(1H-indol-3-yl)ethyl]quinazolin-4-one
CID 176910383
3-prop-2-ynylquinazolin-4-one
CID 603496
5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylic acid
CID 28824082
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
3-[(3-phenylphenyl)methyl]quinazolin-4-one
CID 121275766
3-[(6-amino-2-pyridinyl)methyl]quinazolin-4-one
CID 79231283

Frequently Asked Questions

What is the IUPAC name of 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one?
The IUPAC name of 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one (CID 166465371) is 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one?
The canonical SMILES for 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one is O=c1c2ccccc2ncn1CC1=CCOCC1.
What is the InChIKey of 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one?
The InChIKey is NJUPYGFHCBCHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-14-12-3-1-2-4-13(12)15-10-16(14)9-11-5-7-18-8-6-11/h1-5,10H,6-9H2.
What are the key properties of 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one?
3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one has a molecular weight of 242.28 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,6-dihydro-2H-pyran-4-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 166465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).