2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

C20H17N3O3 — CID 45251959

IUPAC2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESO=C(NC1CCCc2nc(-c3ccccc3)ncc21)C(=O)c1ccco1
InChIInChI=1S/C20H17N3O3/c24-18(17-10-5-11-26-17)20(25)23-16-9-4-8-15-14(16)12-21-19(22-15)13-6-2-1-3-7-13/h1-3,5-7,10-12,16H,4,8-9H2,(H,23,25)
InChIKeyUXCWGQGTEFIWEV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.11
Rot. Bonds4

About 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (PubChem CID 45251959) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
PubChem CID45251959
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
SMILESO=C(NC1CCCc2nc(-c3ccccc3)ncc21)C(=O)c1ccco1
InChIInChI=1S/C20H17N3O3/c24-18(17-10-5-11-26-17)20(25)23-16-9-4-8-15-14(16)12-21-19(22-15)13-6-2-1-3-7-13/h1-3,5-7,10-12,16H,4,8-9H2,(H,23,25)
InChIKeyUXCWGQGTEFIWEV-UHFFFAOYSA-N
XLogP3.11
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)cyclopentanecarboxamide
CID 45214726
N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyridine-4-carboxamide
CID 56731433
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]but-2-ynamide
CID 26404996
3-methyl-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]butanamide
CID 25454443
N-[(5S)-2-methyl-5,6,7,8-tetrahydroquinazolin-5-yl]furan-2-carboxamide
CID 95740666
N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]pyrazine-2-carboxamide
CID 95384867
2-(2-methoxyphenyl)-N-[(5S)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 25453314
3-(methanesulfonamido)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 72860377
2-(2-methoxyethoxy)-N-[(5R)-2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl]acetamide
CID 97127538
2,5-dimethyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazole-3-carboxamide
CID 56731428
3-(furan-2-yl)-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)propanamide
CID 56731447
N-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]cyclobutanecarboxamide
CID 25379238

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The IUPAC name of 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide (CID 45251959) is 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide.
What is the SMILES notation for 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The canonical SMILES for 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is O=C(NC1CCCc2nc(-c3ccccc3)ncc21)C(=O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
The InChIKey is UXCWGQGTEFIWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18(17-10-5-11-26-17)20(25)23-16-9-4-8-15-14(16)12-21-19(22-15)13-6-2-1-3-7-13/h1-3,5-7,10-12,16H,4,8-9H2,(H,23,25).
What are the key properties of 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide?
2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-oxo-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide is sourced from PubChem (CID 45251959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).