2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide

C22H24N4O3 — CID 27146491

IUPAC2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3ccc(NC(=O)C(C)C)cc3)cnc12
InChIInChI=1S/C22H24N4O3/c1-14(2)21(28)25-17-9-7-16(8-10-17)24-19(27)11-12-26-13-23-20-15(3)5-4-6-18(20)22(26)29/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYIRIPZXODYJTSK-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.33
Rot. Bonds6

About 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide

2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide (PubChem CID 27146491) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
PubChem CID27146491
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
SMILESCc1cccc2c(=O)n(CCC(=O)Nc3ccc(NC(=O)C(C)C)cc3)cnc12
InChIInChI=1S/C22H24N4O3/c1-14(2)21(28)25-17-9-7-16(8-10-17)24-19(27)11-12-26-13-23-20-15(3)5-4-6-18(20)22(26)29/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyYIRIPZXODYJTSK-UHFFFAOYSA-N
XLogP3.33
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
N-(5-acetamido-2-methylphenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46463322
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 25496285
3-(8-methyl-4-oxoquinazolin-3-yl)-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]propanamide
CID 55811016
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-(2,3-dichlorophenyl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 27147913
4-fluoro-N-[4-[1-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]ethyl]phenyl]benzamide
CID 60538144
N-[3-(2-amino-2-oxoethoxy)phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 43049163
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 119607074

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide?
The IUPAC name of 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide (CID 27146491) is 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide is Cc1cccc2c(=O)n(CCC(=O)Nc3ccc(NC(=O)C(C)C)cc3)cnc12.
What is the InChIKey of 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide?
The InChIKey is YIRIPZXODYJTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14(2)21(28)25-17-9-7-16(8-10-17)24-19(27)11-12-26-13-23-20-15(3)5-4-6-18(20)22(26)29/h4-10,13-14H,11-12H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide?
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide has a molecular weight of 392.46 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide is sourced from PubChem (CID 27146491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).