N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

C22H24N4O3 — CID 25496285

IUPACN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-15-7-9-17(10-8-15)24-19(27)13-25(3)20(28)11-12-26-14-23-21-16(2)5-4-6-18(21)22(26)29/h4-10,14H,11-13H2,1-3H3,(H,24,27)
InChIKeyWKZDNIZTDZEWAV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.50
Rot. Bonds6

About N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide

N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (PubChem CID 25496285) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
PubChem CID25496285
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C22H24N4O3/c1-15-7-9-17(10-8-15)24-19(27)13-25(3)20(28)11-12-26-14-23-21-16(2)5-4-6-18(21)22(26)29/h4-10,14H,11-13H2,1-3H3,(H,24,27)
InChIKeyWKZDNIZTDZEWAV-UHFFFAOYSA-N
XLogP2.50
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

S-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl] N,N-dimethylcarbamothioate
CID 56529448
2-methyl-N-[4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]phenyl]propanamide
CID 27146491
N-benzyl-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 26004666
N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2-methylphenyl)methyl]propanamide
CID 43035945
N,N-diethyl-4-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoylamino]benzamide
CID 39723808
4-[methyl-[3-(8-methyl-4-oxoquinazolin-3-yl)propanoyl]amino]butanoic acid
CID 119137222
N-[(4-fluorophenyl)methyl]-N-methyl-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 46474620
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide
CID 52663067
(2-anilino-2-oxoethyl) 3-(8-methyl-4-oxoquinazolin-3-yl)propanoate
CID 33486113
N-methyl-4-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 31949527
3-(8-methyl-4-oxoquinazolin-3-yl)-N'-[2-(4-methylphenyl)sulfanylacetyl]propanehydrazide
CID 35376766
N-ethyl-3-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-methylphenyl)propanamide
CID 46550537

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide (CID 25496285) is N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is Cc1ccc(NC(=O)CN(C)C(=O)CCn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is WKZDNIZTDZEWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-7-9-17(10-8-15)24-19(27)13-25(3)20(28)11-12-26-14-23-21-16(2)5-4-6-18(21)22(26)29/h4-10,14H,11-13H2,1-3H3,(H,24,27).
What are the key properties of N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide?
N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 392.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]-3-(8-methyl-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 25496285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).