N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide

C21H23N5O3 — CID 3240027

IUPACN-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H23N5O3/c1-25(13-10-16-6-4-5-11-22-16)20(28)9-12-23-19(27)14-26-15-24-18-8-3-2-7-17(18)21(26)29/h2-8,11,15H,9-10,12-14H2,1H3,(H,23,27)
InChIKeyTXTDJNAALXFKGJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP1.00
Rot. Bonds8

About N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide

N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 3240027) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID3240027
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC NameN-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide
SMILESCN(CCc1ccccn1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H23N5O3/c1-25(13-10-16-6-4-5-11-22-16)20(28)9-12-23-19(27)14-26-15-24-18-8-3-2-7-17(18)21(26)29/h2-8,11,15H,9-10,12-14H2,1H3,(H,23,27)
InChIKeyTXTDJNAALXFKGJ-UHFFFAOYSA-N
XLogP1.00
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide (CID 3240027) is N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide is CN(CCc1ccccn1)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is TXTDJNAALXFKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-25(13-10-16-6-4-5-11-22-16)20(28)9-12-23-19(27)14-26-15-24-18-8-3-2-7-17(18)21(26)29/h2-8,11,15H,9-10,12-14H2,1H3,(H,23,27).
What are the key properties of N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide?
N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 393.45 g/mol, XLogP of 1.00, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 3240027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).