2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

C20H18N6O2 — CID 18132289

IUPAC2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H18N6O2/c27-19(11-25-14-23-18-4-2-1-3-17(18)20(25)28)22-9-15-5-7-16(8-6-15)10-26-13-21-12-24-26/h1-8,12-14H,9-11H2,(H,22,27)
InChIKeyVGRBPZGXTYCPIP-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.35
Rot. Bonds6

About 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 18132289) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID18132289
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1ccc(Cn2cncn2)cc1
InChIInChI=1S/C20H18N6O2/c27-19(11-25-14-23-18-4-2-1-3-17(18)20(25)28)22-9-15-5-7-16(8-6-15)10-26-13-21-12-24-26/h1-8,12-14H,9-11H2,(H,22,27)
InChIKeyVGRBPZGXTYCPIP-UHFFFAOYSA-N
XLogP1.35
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide with MolForge

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592
6-(4-oxoquinazolin-3-yl)-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]hexanamide
CID 45494949
N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide
CID 46494640
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 8943774
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-benzyl-2-(6-bromo-4-oxoquinazolin-3-yl)acetamide
CID 7886509
2-(4-oxoquinazolin-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8969226
2-hydroxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]benzamide
CID 18132348
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 41484268
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide (CID 18132289) is 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1ccc(Cn2cncn2)cc1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is VGRBPZGXTYCPIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c27-19(11-25-14-23-18-4-2-1-3-17(18)20(25)28)22-9-15-5-7-16(8-6-15)10-26-13-21-12-24-26/h1-8,12-14H,9-11H2,(H,22,27).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 18132289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).