2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

C19H19N3O3 — CID 26638727

IUPAC2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H19N3O3/c1-2-11-22-18(21-16-6-4-3-5-15(16)19(22)24)13-7-9-14(10-8-13)25-12-17(20)23/h2-10,18,21H,1,11-12H2,(H2,20,23)/t18-/m1/s1
InChIKeyMWKHFHDBSJZIEE-GOSISDBHSA-N
MW337.38 g/mol
LogP2.30
Rot. Bonds6

About 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide

2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (PubChem CID 26638727) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
PubChem CID26638727
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
SMILESC=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C19H19N3O3/c1-2-11-22-18(21-16-6-4-3-5-15(16)19(22)24)13-7-9-14(10-8-13)25-12-17(20)23/h2-10,18,21H,1,11-12H2,(H2,20,23)/t18-/m1/s1
InChIKeyMWKHFHDBSJZIEE-GOSISDBHSA-N
XLogP2.30
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-phenylethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 54780086
2-[4-[3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 17478602
2-[4-[(2S)-3-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 25347550
2-[4-[(2S)-3-[(2R)-butan-2-yl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 94452264
3-prop-2-enyl-2-pyridin-2-yl-1,2-dihydroquinazolin-4-one
CID 42915048
2-[4-[(2R)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide
CID 40972413
(2R)-2-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 41173305
3-benzyl-2-[4-(2-methylprop-2-enoxy)phenyl]-1,2-dihydroquinazolin-4-one
CID 54780093
2-[4-(2-methoxyethoxy)phenyl]-3-(2-methoxyethyl)-1,2-dihydroquinazolin-4-one
CID 54778826
2-[4-[(2S)-3-[(4-methylphenyl)methyl]-4-oxo-1,2-dihydroquinazolin-2-yl]phenoxy]acetic acid
CID 9006605
(2R)-3-prop-2-enyl-2-(3,4,5-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 92787600
(2R)-2-[2-bromo-4-(2-hydroxyethoxy)phenyl]-3-prop-2-enyl-1,2-dihydroquinazolin-4-one
CID 30098070

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide (CID 26638727) is 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is C=CCN1C(=O)c2ccccc2N[C@H]1c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
The InChIKey is MWKHFHDBSJZIEE-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-2-11-22-18(21-16-6-4-3-5-15(16)19(22)24)13-7-9-14(10-8-13)25-12-17(20)23/h2-10,18,21H,1,11-12H2,(H2,20,23)/t18-/m1/s1.
What are the key properties of 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide?
2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide has a molecular weight of 337.38 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-4-oxo-3-prop-2-enyl-1,2-dihydroquinazolin-2-yl]phenoxy]acetamide is sourced from PubChem (CID 26638727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).