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

C21H22N4O4 — CID 3245794

IUPACN-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccccc1CNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-29-18-9-5-2-6-15(18)12-23-19(26)10-11-22-20(27)13-25-14-24-17-8-4-3-7-16(17)21(25)28/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyVKFYIKNOFILRTI-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.23
Rot. Bonds8

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

N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (PubChem CID 3245794) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
PubChem CID3245794
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide
SMILESCOc1ccccc1CNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C21H22N4O4/c1-29-18-9-5-2-6-15(18)12-23-19(26)10-11-22-20(27)13-25-14-24-17-8-4-3-7-16(17)21(25)28/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26)
InChIKeyVKFYIKNOFILRTI-UHFFFAOYSA-N
XLogP1.23
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide (CID 3245794) is N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is COc1ccccc1CNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
The InChIKey is VKFYIKNOFILRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-29-18-9-5-2-6-15(18)12-23-19(26)10-11-22-20(27)13-25-14-24-17-8-4-3-7-16(17)21(25)28/h2-9,14H,10-13H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide?
N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide has a molecular weight of 394.43 g/mol, XLogP of 1.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]propanamide is sourced from PubChem (CID 3245794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).