N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C25H24N4O3 — CID 60524613

IUPACN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc(Oc2ncccc2NC(=O)CCn2cnc3c(C)cccc3c2=O)c1C
InChIInChI=1S/C25H24N4O3/c1-16-7-5-11-21(18(16)3)32-24-20(10-6-13-26-24)28-22(30)12-14-29-15-27-23-17(2)8-4-9-19(23)25(29)31/h4-11,13,15H,12,14H2,1-3H3,(H,28,30)
InChIKeyGKMYQJHUQKORMN-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.54
Rot. Bonds6

About N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 60524613) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID60524613
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC NameN-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1cccc(Oc2ncccc2NC(=O)CCn2cnc3c(C)cccc3c2=O)c1C
InChIInChI=1S/C25H24N4O3/c1-16-7-5-11-21(18(16)3)32-24-20(10-6-13-26-24)28-22(30)12-14-29-15-27-23-17(2)8-4-9-19(23)25(29)31/h4-11,13,15H,12,14H2,1-3H3,(H,28,30)
InChIKeyGKMYQJHUQKORMN-UHFFFAOYSA-N
XLogP4.54
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-2-(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)acetamide
CID 52690252
methyl 4,5-dimethoxy-2-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 27133646
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]propanamide
CID 55613906
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
[2-oxo-2-(2-phenoxyanilino)ethyl] 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486051
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
4-(8-methyl-4-oxoquinazolin-3-yl)-N-pyridin-2-ylbutanamide
CID 17392331
2-(8-methyl-4-oxoquinazolin-3-yl)-N-quinolin-8-ylacetamide
CID 17443977
N-[2-(2,3-dihydroindol-1-yl)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43066804
N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 34717885
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-propoxyphenyl)acetamide
CID 27895346

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 60524613) is N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1cccc(Oc2ncccc2NC(=O)CCn2cnc3c(C)cccc3c2=O)c1C.
What is the InChIKey of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is GKMYQJHUQKORMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-16-7-5-11-21(18(16)3)32-24-20(10-6-13-26-24)28-22(30)12-14-29-15-27-23-17(2)8-4-9-19(23)25(29)31/h4-11,13,15H,12,14H2,1-3H3,(H,28,30).
What are the key properties of N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 428.49 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylphenoxy)-3-pyridinyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 60524613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).