2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide

C25H23N3O3 — CID 43022874

IUPAC2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1nc2ccccc2c(=O)n1C(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17(28-18(2)26-23-11-7-6-10-22(23)25(28)30)24(29)27-20-12-14-21(15-13-20)31-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyQVWKRPOJPCNWML-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.48
Rot. Bonds6

About 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide

2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide (PubChem CID 43022874) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
PubChem CID43022874
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide
SMILESCc1nc2ccccc2c(=O)n1C(C)C(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C25H23N3O3/c1-17(28-18(2)26-23-11-7-6-10-22(23)25(28)30)24(29)27-20-12-14-21(15-13-20)31-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyQVWKRPOJPCNWML-UHFFFAOYSA-N
XLogP4.48
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 ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(2S)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 98384376
2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(4-phenylmethoxyphenyl)acetamide
CID 23987441
(2S)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethoxyphenyl)propanamide
CID 8726960
2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]propanamide
CID 7294903
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 111332432
2-(carbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 4638854
2-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-N-(4-phenylmethoxyphenyl)propanamide
CID 46631297
[(2R)-1-oxo-1-(4-phenylmethoxyanilino)propan-2-yl] benzoate
CID 7514975
1-(4-phenylmethoxyphenyl)-3-propan-2-ylurea
CID 110755142
2-(3-methyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 46661412
2-(4-bromo-2,6-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 4961087
N-(4-butoxyphenyl)-2-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 4909703

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The IUPAC name of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide (CID 43022874) is 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide.
What is the SMILES notation for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The canonical SMILES for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide is Cc1nc2ccccc2c(=O)n1C(C)C(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide?
The InChIKey is QVWKRPOJPCNWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17(28-18(2)26-23-11-7-6-10-22(23)25(28)30)24(29)27-20-12-14-21(15-13-20)31-16-19-8-4-3-5-9-19/h3-15,17H,16H2,1-2H3,(H,27,29).
What are the key properties of 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide?
2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide has a molecular weight of 413.48 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxoquinazolin-3-yl)-N-(4-phenylmethoxyphenyl)propanamide is sourced from PubChem (CID 43022874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).