N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide

C20H19N3O3 — CID 9464349

IUPACN-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-2-5-19(25)22-15-10-8-14(9-11-15)18(24)12-23-13-21-17-7-4-3-6-16(17)20(23)26/h3-4,6-11,13H,2,5,12H2,1H3,(H,22,25)
InChIKeyQHCJLNXBHNRTAG-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.02
Rot. Bonds6

About N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide

N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide (PubChem CID 9464349) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
PubChem CID9464349
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-2-5-19(25)22-15-10-8-14(9-11-15)18(24)12-23-13-21-17-7-4-3-6-16(17)20(23)26/h3-4,6-11,13H,2,5,12H2,1H3,(H,22,25)
InChIKeyQHCJLNXBHNRTAG-UHFFFAOYSA-N
XLogP3.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
CID 32762513
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
3-[2-(3,4-dimethylphenyl)-2-oxoethyl]quinazolin-4-one
CID 932622
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(4-tert-butylphenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 34756761
N-methyl-N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]methanesulfonamide
CID 7628344
N-(2-ethoxypyrimidin-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 122302050
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[4-[3-(4-oxoquinazolin-3-yl)propanoylamino]phenyl]cyclopropanecarboxamide
CID 26059200

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide (CID 9464349) is N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide is CCCC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide?
The InChIKey is QHCJLNXBHNRTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-5-19(25)22-15-10-8-14(9-11-15)18(24)12-23-13-21-17-7-4-3-6-16(17)20(23)26/h3-4,6-11,13H,2,5,12H2,1H3,(H,22,25).
What are the key properties of N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide?
N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide has a molecular weight of 349.39 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]butanamide is sourced from PubChem (CID 9464349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).