N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

C21H21N5O4 — CID 56573307

IUPACN-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O
InChIInChI=1S/C21H21N5O4/c1-13-24-17-9-5-3-7-15(17)21(30)26(13)12-19(28)25-16-8-4-2-6-14(16)20(29)23-11-10-18(22)27/h2-9H,10-12H2,1H3,(H2,22,27)(H,23,29)(H,25,28)
InChIKeyLYWMRBMVLBVWGX-UHFFFAOYSA-N
MW407.43 g/mol
LogP0.95
Rot. Bonds7

About N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide

N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (PubChem CID 56573307) has the molecular formula C21H21N5O4 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
PubChem CID56573307
Molecular FormulaC21H21N5O4
Molecular Weight407.43 g/mol
Exact Mass407.16
IUPAC NameN-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
SMILESCc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O
InChIInChI=1S/C21H21N5O4/c1-13-24-17-9-5-3-7-15(17)21(30)26(13)12-19(28)25-16-8-4-2-6-14(16)20(29)23-11-10-18(22)27/h2-9H,10-12H2,1H3,(H2,22,27)(H,23,29)(H,25,28)
InChIKeyLYWMRBMVLBVWGX-UHFFFAOYSA-N
XLogP0.95
TPSA136.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide with MolForge

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Related Compounds

N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
N-benzyl-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 39822353
N-[2-[(3-amino-3-oxopropyl)carbamoyl]phenyl]-3-ethyl-4-oxophthalazine-1-carboxamide
CID 56516533
N-[2-(2-methyl-4-oxoquinazolin-3-yl)ethyl]-1H-indole-4-carboxamide
CID 71706749
2-(2-methyl-4-oxoquinazolin-3-yl)acetate
CID 6971388
N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
CID 56573333
1-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 3038441
2-[[4-(2-methyl-4-oxoquinazolin-3-yl)benzoyl]amino]benzamide
CID 9399217
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
N-(3-amino-3-oxopropyl)-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzamide
CID 56573020
N-(3-amino-3-oxopropyl)-2-[[2-(3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]benzamide
CID 56514862
N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55379148

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide (CID 56573307) is N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is Cc1nc2ccccc2c(=O)n1CC(=O)Nc1ccccc1C(=O)NCCC(N)=O.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
The InChIKey is LYWMRBMVLBVWGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4/c1-13-24-17-9-5-3-7-15(17)21(30)26(13)12-19(28)25-16-8-4-2-6-14(16)20(29)23-11-10-18(22)27/h2-9H,10-12H2,1H3,(H2,22,27)(H,23,29)(H,25,28).
What are the key properties of N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide?
N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide has a molecular weight of 407.43 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide is sourced from PubChem (CID 56573307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).