N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

C21H21ClN4O4 — CID 3237377

IUPACN-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H21ClN4O4/c1-25(17-11-14(22)7-8-18(17)30-2)20(28)9-10-23-19(27)12-26-13-24-16-6-4-3-5-15(16)21(26)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,27)
InChIKeyQVKZIENLWNVZTK-UHFFFAOYSA-N
MW428.88 g/mol
LogP2.23
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide

N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 3237377) has the molecular formula C21H21ClN4O4 and a molecular weight of 428.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID3237377
Molecular FormulaC21H21ClN4O4
Molecular Weight428.88 g/mol
Exact Mass428.13
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H21ClN4O4/c1-25(17-11-14(22)7-8-18(17)30-2)20(28)9-10-23-19(27)12-26-13-24-16-6-4-3-5-15(16)21(26)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,27)
InChIKeyQVKZIENLWNVZTK-UHFFFAOYSA-N
XLogP2.23
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.88
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 3237377) is N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is COc1ccc(Cl)cc1N(C)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is QVKZIENLWNVZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O4/c1-25(17-11-14(22)7-8-18(17)30-2)20(28)9-10-23-19(27)12-26-13-24-16-6-4-3-5-15(16)21(26)29/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,27).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 428.88 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 3237377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).