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

C22H23ClN4O5 — CID 3238155

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1cc(OC)c(N(C)C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C22H23ClN4O5/c1-26(17-10-15(23)18(31-2)11-19(17)32-3)21(29)8-9-24-20(28)12-27-13-25-16-7-5-4-6-14(16)22(27)30/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,28)
InChIKeyYRJRFCGJICHBHJ-UHFFFAOYSA-N
MW458.90 g/mol
LogP2.24
Rot. Bonds8

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

N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 3238155) has the molecular formula C22H23ClN4O5 and a molecular weight of 458.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID3238155
Molecular FormulaC22H23ClN4O5
Molecular Weight458.90 g/mol
Exact Mass458.14
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1cc(OC)c(N(C)C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl
InChIInChI=1S/C22H23ClN4O5/c1-26(17-10-15(23)18(31-2)11-19(17)32-3)21(29)8-9-24-20(28)12-27-13-25-16-7-5-4-6-14(16)22(27)30/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,28)
InChIKeyYRJRFCGJICHBHJ-UHFFFAOYSA-N
XLogP2.24
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.90
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 3238155) is N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is COc1cc(OC)c(N(C)C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is YRJRFCGJICHBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O5/c1-26(17-10-15(23)18(31-2)11-19(17)32-3)21(29)8-9-24-20(28)12-27-13-25-16-7-5-4-6-14(16)22(27)30/h4-7,10-11,13H,8-9,12H2,1-3H3,(H,24,28).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 458.90 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-N-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 3238155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).