3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one

C21H22N2O4 — CID 51283429

IUPAC3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
SMILESC/C=C/c1ccc(OCC(O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H22N2O4/c1-3-6-15-9-10-19(20(11-15)26-2)27-13-16(24)12-23-14-22-18-8-5-4-7-17(18)21(23)25/h3-11,14,16,24H,12-13H2,1-2H3/b6-3+
InChIKeyBBKBXXMGEWKUJL-ZZXKWVIFSA-N
MW366.42 g/mol
LogP2.88
Rot. Bonds7

About 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one

3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one (PubChem CID 51283429) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
PubChem CID51283429
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one
SMILESC/C=C/c1ccc(OCC(O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H22N2O4/c1-3-6-15-9-10-19(20(11-15)26-2)27-13-16(24)12-23-14-22-18-8-5-4-7-17(18)21(23)25/h3-11,14,16,24H,12-13H2,1-2H3/b6-3+
InChIKeyBBKBXXMGEWKUJL-ZZXKWVIFSA-N
XLogP2.88
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]quinazolin-4-one
CID 973373
3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 24562581
3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 42933956
2-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 42955366
3-[2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]quinazolin-4-one
CID 51283425
3-[2-hydroxy-3-[4-(3-oxobutyl)phenoxy]propyl]quinazolin-4-one
CID 51283428
(3aR,7aR)-2-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 129420701
1-[2-(benzenesulfonylmethyl)benzimidazol-1-yl]-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 24606406
1-[3-(2-methoxy-4-prop-1-enylphenoxy)propyl]benzimidazole;oxalic acid
CID 2966036
(2S)-1-(benzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 879495
3-(3-amino-2-hydroxypropyl)quinazolin-4-one
CID 43212309
4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
CID 2947004

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one?
The IUPAC name of 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one (CID 51283429) is 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one is C/C=C/c1ccc(OCC(O)Cn2cnc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one?
The InChIKey is BBKBXXMGEWKUJL-ZZXKWVIFSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-6-15-9-10-19(20(11-15)26-2)27-13-16(24)12-23-14-22-18-8-5-4-7-17(18)21(23)25/h3-11,14,16,24H,12-13H2,1-2H3/b6-3+.
What are the key properties of 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one?
3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one has a molecular weight of 366.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]quinazolin-4-one is sourced from PubChem (CID 51283429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).