2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide

C18H17N7O3S — CID 110221025

IUPAC2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCn1nnn(-c2cccs2)c1=O)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H17N7O3S/c1-12(23-11-20-14-6-3-2-5-13(14)17(23)27)16(26)19-8-9-24-18(28)25(22-21-24)15-7-4-10-29-15/h2-7,10-12H,8-9H2,1H3,(H,19,26)
InChIKeyUUWHWAIDBBYARB-UHFFFAOYSA-N
MW411.45 g/mol
LogP0.58
Rot. Bonds6

About 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide

2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide (PubChem CID 110221025) has the molecular formula C18H17N7O3S and a molecular weight of 411.45 g/mol. Its IUPAC name is 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide
PubChem CID110221025
Molecular FormulaC18H17N7O3S
Molecular Weight411.45 g/mol
Exact Mass411.11
IUPAC Name2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide
SMILESCC(C(=O)NCCn1nnn(-c2cccs2)c1=O)n1cnc2ccccc2c1=O
InChIInChI=1S/C18H17N7O3S/c1-12(23-11-20-14-6-3-2-5-13(14)17(23)27)16(26)19-8-9-24-18(28)25(22-21-24)15-7-4-10-29-15/h2-7,10-12H,8-9H2,1H3,(H,19,26)
InChIKeyUUWHWAIDBBYARB-UHFFFAOYSA-N
XLogP0.58
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

2-methoxy-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]acetamide
CID 95801874
4-oxo-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-3H-phthalazine-1-carboxamide
CID 95801895
N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]-2-thiophen-2-ylacetamide
CID 95801873
(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
CID 51494712
(2S)-N-(1,2-oxazol-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 126431279
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
2-(4-oxoquinazolin-3-yl)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 75356853
3-thiophen-2-ylquinazolin-4-one
CID 14492504
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 119059514

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide?
The IUPAC name of 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide (CID 110221025) is 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide is CC(C(=O)NCCn1nnn(-c2cccs2)c1=O)n1cnc2ccccc2c1=O.
What is the InChIKey of 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide?
The InChIKey is UUWHWAIDBBYARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O3S/c1-12(23-11-20-14-6-3-2-5-13(14)17(23)27)16(26)19-8-9-24-18(28)25(22-21-24)15-7-4-10-29-15/h2-7,10-12H,8-9H2,1H3,(H,19,26).
What are the key properties of 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide?
2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide has a molecular weight of 411.45 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinazolin-3-yl)-N-[2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)ethyl]propanamide is sourced from PubChem (CID 110221025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).