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

C25H23N3O3 — CID 50834702

IUPACN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C25H23N3O3/c1-16-15-19(28-18(3)26-23-12-8-7-11-21(23)25(28)30)13-14-22(16)27-24(29)17(2)31-20-9-5-4-6-10-20/h4-15,17H,1-3H3,(H,27,29)
InChIKeyVWTYEYMTZUDPCA-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.41
Rot. Bonds5

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

N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide (PubChem CID 50834702) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
PubChem CID50834702
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide
SMILESCc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(C)Oc1ccccc1
InChIInChI=1S/C25H23N3O3/c1-16-15-19(28-18(3)26-23-12-8-7-11-21(23)25(28)30)13-14-22(16)27-24(29)17(2)31-20-9-5-4-6-10-20/h4-15,17H,1-3H3,(H,27,29)
InChIKeyVWTYEYMTZUDPCA-UHFFFAOYSA-N
XLogP4.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 43988615
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]pyrazine-2-carboxamide
CID 50834726
2-(4-ethoxyphenyl)-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]acetamide
CID 43988555
2,5-dichloro-N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 41027687
(2S)-N-[2-methyl-4-[3-methyl-4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]phenyl]-2-phenoxypropanamide
CID 2253744
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-phenoxybenzenesulfonamide
CID 41004141
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxyacetamide
CID 43988539
4-(2-methyl-4-oxoquinazolin-3-yl)-N-(2-methyl-4-pyrimidin-2-yloxyphenyl)benzamide
CID 60589902
(2S)-N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylbutanamide
CID 7593095
N-(4-acetamido-3-methylphenyl)-2-phenoxypropanamide
CID 46550285
2-[3-(3,4-dimethoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2,4-dimethylphenyl)propanamide
CID 46617294

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide (CID 50834702) is N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide is Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(C)Oc1ccccc1.
What is the InChIKey of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide?
The InChIKey is VWTYEYMTZUDPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-15-19(28-18(3)26-23-12-8-7-11-21(23)25(28)30)13-14-22(16)27-24(29)17(2)31-20-9-5-4-6-10-20/h4-15,17H,1-3H3,(H,27,29).
What are the key properties of N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide?
N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide has a molecular weight of 413.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 50834702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).