(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

C20H22N2O4 — CID 92787600

IUPAC(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-5-10-22-19(21-15-9-7-6-8-14(15)20(22)23)13-11-16(24-2)18(26-4)17(12-13)25-3/h5-9,11-12,19,21H,1,10H2,2-4H3/t19-/m1/s1
InChIKeyZSURIOBQFNNUSA-LJQANCHMSA-N
MW354.41 g/mol
LogP3.46
Rot. Bonds6

About (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one

(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (PubChem CID 92787600) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
PubChem CID92787600
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H22N2O4/c1-5-10-22-19(21-15-9-7-6-8-14(15)20(22)23)13-11-16(24-2)18(26-4)17(12-13)25-3/h5-9,11-12,19,21H,1,10H2,2-4H3/t19-/m1/s1
InChIKeyZSURIOBQFNNUSA-LJQANCHMSA-N
XLogP3.46
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-propyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1131631
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54778763
(2S)-3-[(4-methylphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9006565
(2S)-3-(4-methoxyphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 1009267
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
(2R)-3-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 7027466
2-[3-(2-ethoxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54779538
(2R)-2-(3,4-dihydroxy-5-methoxyphenyl)-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 32608981
2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086
2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 26638727
(2R)-2-(4-hydroxy-3-methoxyphenyl)-3-propyl-1,2-dihydroquinazolin-4-one
CID 743586
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-methyl-1,2-dihydroquinazolin-4-one
CID 46613480

Frequently Asked Questions

What is the IUPAC name of (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one (CID 92787600) is (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is C=CCN1C(=O)c2ccccc2N[C@H]1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
The InChIKey is ZSURIOBQFNNUSA-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-5-10-22-19(21-15-9-7-6-8-14(15)20(22)23)13-11-16(24-2)18(26-4)17(12-13)25-3/h5-9,11-12,19,21H,1,10H2,2-4H3/t19-/m1/s1.
What are the key properties of (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one?
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one has a molecular weight of 354.41 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 92787600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).