(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide

C20H19N3O3 — CID 178071037

IUPAC(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C20H19N3O3/c1-12(2)21-17(25)11-8-13-4-3-5-16-18(13)22-19(23-20(16)26)14-6-9-15(24)10-7-14/h3-12,24H,1-2H3,(H,21,25)(H,22,23,26)/b11-8+
InChIKeyCXQGNEKRVQHULD-DHZHZOJOSA-N
MW349.39 g/mol
LogP2.83
Rot. Bonds4

About (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide

(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide (PubChem CID 178071037) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide
PubChem CID178071037
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide
SMILESCC(C)NC(=O)/C=C/c1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12
InChIInChI=1S/C20H19N3O3/c1-12(2)21-17(25)11-8-13-4-3-5-16-18(13)22-19(23-20(16)26)14-6-9-15(24)10-7-14/h3-12,24H,1-2H3,(H,21,25)(H,22,23,26)/b11-8+
InChIKeyCXQGNEKRVQHULD-DHZHZOJOSA-N
XLogP2.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-(oxan-2-yloxy)prop-2-enamide
CID 178071022
8-bromo-2-(4-hydroxyphenyl)-3H-quinazolin-4-one
CID 178071051
(E)-3-(2-bromophenyl)-N-propan-2-ylprop-2-enamide
CID 18170609
4-(8-hydroxy-4-oxo-3H-quinazolin-2-yl)benzonitrile
CID 135411211
3-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]prop-2-enoic acid
CID 168551832
2-[[(E)-3-naphthalen-1-ylprop-2-enoyl]carbamothioylamino]-N-propan-2-ylbenzamide
CID 6234982
3-(6-oxo-1-propan-2-yl-7H-pyrazolo[5,4-b]pyridin-5-yl)-N-propan-2-ylprop-2-enamide
CID 154770693
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
2-(4-tert-butylphenyl)-8-nitro-3H-quinazolin-4-one
CID 172677792
(E)-N-(4-hydroxyphenyl)-3-naphthalen-1-ylprop-2-enamide
CID 102534918
2-(4-hydroxyphenyl)-6-(125I)iodo-3H-quinazolin-4-one
CID 135541903
ethanesulfonic acid;(E)-3-(4-hydroxyphenyl)-N-propan-2-ylprop-2-enamide
CID 88652718

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide?
The IUPAC name of (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide (CID 178071037) is (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide?
The canonical SMILES for (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide is CC(C)NC(=O)/C=C/c1cccc2c(=O)[nH]c(-c3ccc(O)cc3)nc12.
What is the InChIKey of (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide?
The InChIKey is CXQGNEKRVQHULD-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-12(2)21-17(25)11-8-13-4-3-5-16-18(13)22-19(23-20(16)26)14-6-9-15(24)10-7-14/h3-12,24H,1-2H3,(H,21,25)(H,22,23,26)/b11-8+.
What are the key properties of (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide?
(E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide has a molecular weight of 349.39 g/mol, XLogP of 2.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-hydroxyphenyl)-4-oxo-3H-quinazolin-8-yl]-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 178071037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).