2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

C18H15N7O2 — CID 70744033

IUPAC2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H15N7O2/c26-17(11-24-12-20-15-9-5-4-8-14(15)18(24)27)19-10-16-21-22-23-25(16)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,26)
InChIKeyATOUEHQVPHFAOR-UHFFFAOYSA-N
MW361.37 g/mol
LogP0.69
Rot. Bonds5

About 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide

2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (PubChem CID 70744033) has the molecular formula C18H15N7O2 and a molecular weight of 361.37 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
PubChem CID70744033
Molecular FormulaC18H15N7O2
Molecular Weight361.37 g/mol
Exact Mass361.13
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)NCc1nnnn1-c1ccccc1
InChIInChI=1S/C18H15N7O2/c26-17(11-24-12-20-15-9-5-4-8-14(15)18(24)27)19-10-16-21-22-23-25(16)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,26)
InChIKeyATOUEHQVPHFAOR-UHFFFAOYSA-N
XLogP0.69
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(5-methyl-2,4-dioxopyrimidin-1-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide
CID 77082434
N-(2-amino-2-oxoethyl)-4-[[[2-(4-oxoquinazolin-3-yl)acetyl]amino]methyl]benzamide
CID 46494640
2-(4-oxoquinazolin-3-yl)-N-(3-phenylbutyl)acetamide
CID 51103841
N-butyl-2-(4-oxoquinazolin-3-yl)acetamide
CID 2286297
N-(2-morpholin-4-yl-2-oxoethyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 5073065
2-(4-oxoquinazolin-3-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 46403234
N'-[2-(4-oxoquinazolin-3-yl)acetyl]-1,5-diphenyl-1,2,4-triazole-3-carbohydrazide
CID 24540532
N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 24551862
(2R)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]-2-phenylacetic acid
CID 6352554
2-(4-oxoquinazolin-3-yl)-N-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 46427247
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 121137899
N-[(3-methylthiophen-2-yl)methyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 32957981

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide (CID 70744033) is 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is O=C(Cn1cnc2ccccc2c1=O)NCc1nnnn1-c1ccccc1.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
The InChIKey is ATOUEHQVPHFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O2/c26-17(11-24-12-20-15-9-5-4-8-14(15)18(24)27)19-10-16-21-22-23-25(16)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,19,26).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide?
2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide has a molecular weight of 361.37 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]acetamide is sourced from PubChem (CID 70744033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).