N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

C21H17N3O3 — CID 51202356

IUPACN-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C21H17N3O3/c25-19(13-24-14-22-17-10-5-4-9-16(17)21(24)26)23-20(18-11-6-12-27-18)15-7-2-1-3-8-15/h1-12,14,20H,13H2,(H,23,25)
InChIKeyBHRNOPMLJFHBHP-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.90
Rot. Bonds5

About N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 51202356) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID51202356
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccco1
InChIInChI=1S/C21H17N3O3/c25-19(13-24-14-22-17-10-5-4-9-16(17)21(24)26)23-20(18-11-6-12-27-18)15-7-2-1-3-8-15/h1-12,14,20H,13H2,(H,23,25)
InChIKeyBHRNOPMLJFHBHP-UHFFFAOYSA-N
XLogP2.90
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
dimethyl-[(2S)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylethyl]azanium
CID 8936990
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9403212
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[(1R)-2-morpholin-4-yl-1-phenylethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9149228
2-(4-oxoquinazolin-3-yl)-N-[(2S)-1-phenylpropan-2-yl]acetamide
CID 844929
N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 156586616
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(S)-phenyl(thiophen-2-yl)methyl]acetamide
CID 8565341
(2R,3R)-3-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]pentanoic acid
CID 40742824
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 9287316

Frequently Asked Questions

What is the IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 51202356) is N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)NC(c1ccccc1)c1ccco1.
What is the InChIKey of N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BHRNOPMLJFHBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c25-19(13-24-14-22-17-10-5-4-9-16(17)21(24)26)23-20(18-11-6-12-27-18)15-7-2-1-3-8-15/h1-12,14,20H,13H2,(H,23,25).
What are the key properties of N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[furan-2-yl(phenyl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51202356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).