4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide

C21H22N4O4 — CID 55878694

IUPAC4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-14-4-3-5-17-19(14)24-13-25(21(17)28)12-18(26)22-10-11-23-20(27)15-6-8-16(29-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKXDHYQHAAADACZ-UHFFFAOYSA-N
MW394.43 g/mol
LogP1.26
Rot. Bonds7

About 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide

4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide (PubChem CID 55878694) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
PubChem CID55878694
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1
InChIInChI=1S/C21H22N4O4/c1-14-4-3-5-17-19(14)24-13-25(21(17)28)12-18(26)22-10-11-23-20(27)15-6-8-16(29-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyKXDHYQHAAADACZ-UHFFFAOYSA-N
XLogP1.26
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3-(2-methoxyethoxy)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55804193
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 27770445
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 24529057
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(2-methyl-3-pyridinyl)ethyl]acetamide
CID 136567983
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
(6-methoxynaphthalen-2-yl)methyl 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 55554777
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
(4-propanoylphenyl) 2-(8-methyl-4-oxoquinazolin-3-yl)acetate
CID 24529030

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide (CID 55878694) is 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide is COc1ccc(C(=O)NCCNC(=O)Cn2cnc3c(C)cccc3c2=O)cc1.
What is the InChIKey of 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is KXDHYQHAAADACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-14-4-3-5-17-19(14)24-13-25(21(17)28)12-18(26)22-10-11-23-20(27)15-6-8-16(29-2)9-7-15/h3-9,13H,10-12H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide?
4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 55878694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).