N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

C27H23N3O3 — CID 135901571

IUPACN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C27H23N3O3/c31-25(16-8-15-24-28-21-13-6-5-12-20(21)27(32)29-24)30-26(18-9-2-1-3-10-18)23-17-19-11-4-7-14-22(19)33-23/h1-7,9-14,17,26H,8,15-16H2,(H,30,31)(H,28,29,32)/t26-/m1/s1
InChIKeyOIUNSRCCBPRCML-AREMUKBSSA-N
MW437.50 g/mol
LogP4.90
Rot. Bonds7

About N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide

N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (PubChem CID 135901571) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.

Molecular Properties

Compound NameN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
PubChem CID135901571
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
SMILESO=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C27H23N3O3/c31-25(16-8-15-24-28-21-13-6-5-12-20(21)27(32)29-24)30-26(18-9-2-1-3-10-18)23-17-19-11-4-7-14-22(19)33-23/h1-7,9-14,17,26H,8,15-16H2,(H,30,31)(H,28,29,32)/t26-/m1/s1
InChIKeyOIUNSRCCBPRCML-AREMUKBSSA-N
XLogP4.90
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 135724863
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137291968
4-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]-4-phenylbutanoic acid
CID 136990447
N-(2-methoxy-2-phenylethyl)-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137303290
N-[(2S)-1-aminopropan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137024790
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 135925520
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoic acid
CID 135625145
4-(4-oxo-3H-quinazolin-2-yl)-N-quinolin-3-ylbutanamide
CID 135939873
4-(4-oxo-3H-quinazolin-2-yl)-N-(3-propan-2-ylphenyl)butanamide
CID 135888514
(2R)-3-(4-hydroxyphenyl)-2-[4-(4-oxo-3H-quinazolin-2-yl)butanoylamino]propanoate
CID 135625144
N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide
CID 137137335
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1S)-1-phenylpropyl]propanamide
CID 135566841

Frequently Asked Questions

What is the IUPAC name of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The IUPAC name of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide (CID 135901571) is N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide.
What is the SMILES notation for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The canonical SMILES for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is O=C(CCCc1nc2ccccc2c(=O)[nH]1)N[C@H](c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
The InChIKey is OIUNSRCCBPRCML-AREMUKBSSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-25(16-8-15-24-28-21-13-6-5-12-20(21)27(32)29-24)30-26(18-9-2-1-3-10-18)23-17-19-11-4-7-14-22(19)33-23/h1-7,9-14,17,26H,8,15-16H2,(H,30,31)(H,28,29,32)/t26-/m1/s1.
What are the key properties of N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide?
N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide has a molecular weight of 437.50 g/mol, XLogP of 4.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-4-(4-oxo-3H-quinazolin-2-yl)butanamide is sourced from PubChem (CID 135901571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).