(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide

C18H19N5O3 — CID 23313644

IUPAC(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide
SMILESO=C(/C=C/n1cnc2ccc(O)cc2c1=O)NCCCCn1ccnc1
InChIInChI=1S/C18H19N5O3/c24-14-3-4-16-15(11-14)18(26)23(13-21-16)9-5-17(25)20-6-1-2-8-22-10-7-19-12-22/h3-5,7,9-13,24H,1-2,6,8H2,(H,20,25)/b9-5+
InChIKeyFIZOHGZMUOTQCV-WEVVVXLNSA-N
MW353.38 g/mol
LogP1.37
Rot. Bonds7

About (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide

(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide (PubChem CID 23313644) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide
PubChem CID23313644
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide
SMILESO=C(/C=C/n1cnc2ccc(O)cc2c1=O)NCCCCn1ccnc1
InChIInChI=1S/C18H19N5O3/c24-14-3-4-16-15(11-14)18(26)23(13-21-16)9-5-17(25)20-6-1-2-8-22-10-7-19-12-22/h3-5,7,9-13,24H,1-2,6,8H2,(H,20,25)/b9-5+
InChIKeyFIZOHGZMUOTQCV-WEVVVXLNSA-N
XLogP1.37
TPSA102.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(4-imidazol-1-ylbutyl)but-2-enamide
CID 78968417
(E)-3-(2-hydroxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 176908605
2-amino-5-hydroxy-N-(4-imidazol-1-ylbutyl)benzamide
CID 107075037
(E)-3-(1,3-benzothiazol-2-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide
CID 56789537
(E)-N-(4-imidazol-1-ylbutyl)-3-(6-methoxynaphthalen-2-yl)prop-2-enamide
CID 166204567
6-hydroxy-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264089
1-(4-imidazol-1-ylbutyl)-3-methylurea
CID 115589253
N-(5-imidazol-1-ylpentyl)-3-methylbenzamide
CID 110441440
(E)-3-(3,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)prop-2-enamide
CID 6310678
4-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 62175846
(E)-N-(3-imidazol-1-ylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 27397163
5-(ethylamino)-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 104640721

Frequently Asked Questions

What is the IUPAC name of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide (CID 23313644) is (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide is O=C(/C=C/n1cnc2ccc(O)cc2c1=O)NCCCCn1ccnc1.
What is the InChIKey of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide?
The InChIKey is FIZOHGZMUOTQCV-WEVVVXLNSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-14-3-4-16-15(11-14)18(26)23(13-21-16)9-5-17(25)20-6-1-2-8-22-10-7-19-12-22/h3-5,7,9-13,24H,1-2,6,8H2,(H,20,25)/b9-5+.
What are the key properties of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide?
(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide has a molecular weight of 353.38 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-imidazol-1-ylbutyl)prop-2-enamide is sourced from PubChem (CID 23313644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).