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

C24H21N3O3 — CID 27147986

IUPACN-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-17-10-12-18(13-11-17)30-22-9-5-4-8-21(22)26-23(28)14-15-27-16-25-20-7-3-2-6-19(20)24(27)29/h2-13,16H,14-15H2,1H3,(H,26,28)
InChIKeyQCNZXORNGGIOFT-UHFFFAOYSA-N
MW399.45 g/mol
LogP4.53
Rot. Bonds6

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

N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 27147986) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
PubChem CID27147986
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC NameN-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(Oc2ccccc2NC(=O)CCn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O3/c1-17-10-12-18(13-11-17)30-22-9-5-4-8-21(22)26-23(28)14-15-27-16-25-20-7-3-2-6-19(20)24(27)29/h2-13,16H,14-15H2,1H3,(H,26,28)
InChIKeyQCNZXORNGGIOFT-UHFFFAOYSA-N
XLogP4.53
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 16595195
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
N-[2-(difluoromethoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 27147340
N-(4-methyl-2-propoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 55902104
N-(2-acetamido-5-methylphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 131906477
N-(3,5-dimethoxyphenyl)-3-(4-oxoquinazolin-3-yl)propanamide
CID 4905328
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 51254853
3-(4-oxoquinazolin-3-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 4870595
3-(6-bromo-4-oxoquinazolin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 31301273
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 55471858
3-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 26835382
3-(4-oxoquinazolin-3-yl)-N-(2-phenylsulfanylphenyl)propanamide
CID 52546822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide (CID 27147986) is N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is Cc1ccc(Oc2ccccc2NC(=O)CCn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is QCNZXORNGGIOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3/c1-17-10-12-18(13-11-17)30-22-9-5-4-8-21(22)26-23(28)14-15-27-16-25-20-7-3-2-6-19(20)24(27)29/h2-13,16H,14-15H2,1H3,(H,26,28).
What are the key properties of N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide?
N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 27147986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).