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

C21H22N4O5 — CID 3237827

IUPACN-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H22N4O5/c1-29-14-7-8-17(18(11-14)30-2)24-19(26)9-10-22-20(27)12-25-13-23-16-6-4-3-5-15(16)21(25)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyPJFCEHPOHLOEMI-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.56
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 3237827) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID3237827
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1
InChIInChI=1S/C21H22N4O5/c1-29-14-7-8-17(18(11-14)30-2)24-19(26)9-10-22-20(27)12-25-13-23-16-6-4-3-5-15(16)21(25)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,24,26)
InChIKeyPJFCEHPOHLOEMI-UHFFFAOYSA-N
XLogP1.56
TPSA111.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide with MolForge

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Related Compounds

3-(2-ethoxyphenyl)-2-(1-piperazinylmethyl)-4(3H)-quinazolinone
CID 11559627
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
3-(2,4-dimethoxyphenyl)-2-(4-morpholinylmethyl)-4(3H)-quinazolinone
CID 991506
3-[4-(3-ethoxyphenoxy)butyl]-4(3H)-quinazolinone
CID 2300157
3-(2,4-dimethoxyphenyl)-2-[(4-methylpiperidin-1-yl)methyl]-6-nitroquinazolin-4(3H)-one
CID 16193119
N~1~-(2,5-dimethoxyphenyl)-N~2~-[(4-oxoquinazolin-3(4H)-yl)acetyl]glycinamide
CID 3237928
N~1~-(2-methoxybenzyl)-N~3~-[(4-oxoquinazolin-3(4H)-yl)acetyl]-beta-alaninamide
CID 3245794
N-(2-Methoxy-5-methylphenyl)-3-[2-(4-oxo-3,4-dihydroquinazolin-3-YL)acetamido]propanamide
CID 15994104
3-(2-Ethoxyphenyl)-2-[(hexahydro-1H-1,4-diazepin-1-yl)methyl]-4(3H)-quinazolinone
CID 56668337
6-methoxy-N-[(3-methoxyphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 136379629
3(4H)-Quinazolineacetamide, N-(4-methoxyphenyl)-4-oxo-
CID 670909
2-[(2,4-dimethoxyphenyl)amino]-4H-3,1-benzothiazin-4-one
CID 661568

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 3237827) is N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is COc1ccc(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is PJFCEHPOHLOEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-29-14-7-8-17(18(11-14)30-2)24-19(26)9-10-22-20(27)12-25-13-23-16-6-4-3-5-15(16)21(25)28/h3-8,11,13H,9-10,12H2,1-2H3,(H,22,27)(H,24,26).
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 410.43 g/mol, XLogP of 1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 3237827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).