3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide

C25H23N3O3 — CID 7577823

IUPAC3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-26-23-6-4-3-5-22(23)25(30)28(17)20-12-10-19(11-13-20)27-24(29)16-9-18-7-14-21(31-2)15-8-18/h3-8,10-15H,9,16H2,1-2H3,(H,27,29)
InChIKeyDGFILFYJWMAROD-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.27
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide

3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (PubChem CID 7577823) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
PubChem CID7577823
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17-26-23-6-4-3-5-22(23)25(30)28(17)20-12-10-19(11-13-20)27-24(29)16-9-18-7-14-21(31-2)15-8-18/h3-8,10-15H,9,16H2,1-2H3,(H,27,29)
InChIKeyDGFILFYJWMAROD-UHFFFAOYSA-N
XLogP4.27
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294898
3-(4-methoxyphenyl)-N-[4-[2-(1-phenylbenzimidazol-2-yl)ethyl]phenyl]propanamide
CID 46290493
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
N-(4-methoxyphenyl)-3-[4-(4-methoxyphenyl)-3-oxoquinoxalin-2-yl]propanamide
CID 17447565
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-[4-(1,3-benzothiazol-2-ylmethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 86577376
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
CID 30867464
3-(4-ethylphenyl)-2-methylquinazolin-4-one;hydrochloride
CID 165362442
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 171649584

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide (CID 7577823) is 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
The InChIKey is DGFILFYJWMAROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-26-23-6-4-3-5-22(23)25(30)28(17)20-12-10-19(11-13-20)27-24(29)16-9-18-7-14-21(31-2)15-8-18/h3-8,10-15H,9,16H2,1-2H3,(H,27,29).
What are the key properties of 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide?
3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide has a molecular weight of 413.48 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide is sourced from PubChem (CID 7577823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).