methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate

C22H23N3O4 — CID 17464812

IUPACmethyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cccc(-n2cnc3ccccc3c2=O)c1
InChIInChI=1S/C22H23N3O4/c1-14(2)11-19(22(28)29-3)24-20(26)15-7-6-8-16(12-15)25-13-23-18-10-5-4-9-17(18)21(25)27/h4-10,12-14,19H,11H2,1-3H3,(H,24,26)
InChIKeySASGRGYLAXJWBU-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.70
Rot. Bonds6

About methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate

methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate (PubChem CID 17464812) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate
PubChem CID17464812
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1cccc(-n2cnc3ccccc3c2=O)c1
InChIInChI=1S/C22H23N3O4/c1-14(2)11-19(22(28)29-3)24-20(26)15-7-6-8-16(12-15)25-13-23-18-10-5-4-9-17(18)21(25)27/h4-10,12-14,19H,11H2,1-3H3,(H,24,26)
InChIKeySASGRGYLAXJWBU-UHFFFAOYSA-N
XLogP2.70
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate with MolForge

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Related Compounds

methyl 3-methyl-2-[[4-(4-oxoquinazolin-3-yl)benzoyl]amino]butanoate
CID 17464811
3-(4-oxoquinazolin-3-yl)benzoic acid
CID 7749421
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
N-(6-methylheptan-2-yl)-4-(4-oxoquinazolin-3-yl)benzamide
CID 43019404
methyl (2R)-2-[(3-bromobenzoyl)amino]-4-methylpentanoate
CID 40570434
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
CID 68954177
methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylpentanoate
CID 82546362
methyl 4-methyl-2-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]pentanoate
CID 78812383
(2S)-4-methyl-2-[[3-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 119361740
methyl 4-methyl-2-[[3,4,5-tris(phenylmethoxy)benzoyl]amino]pentanoate
CID 142728752
methyl (2S)-4-methyl-2-[4-(4-oxo-1,2,3-benzotriazin-3-yl)butanoylamino]pentanoate
CID 39309806

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate (CID 17464812) is methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1cccc(-n2cnc3ccccc3c2=O)c1.
What is the InChIKey of methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate?
The InChIKey is SASGRGYLAXJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14(2)11-19(22(28)29-3)24-20(26)15-7-6-8-16(12-15)25-13-23-18-10-5-4-9-17(18)21(25)27/h4-10,12-14,19H,11H2,1-3H3,(H,24,26).
What are the key properties of methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate?
methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate has a molecular weight of 393.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[3-(4-oxoquinazolin-3-yl)benzoyl]amino]pentanoate is sourced from PubChem (CID 17464812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).