(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

C17H14N6OS — CID 125433329

IUPAC(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cnnn1)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N6OS/c24-16(20-14-5-1-3-12-4-2-7-18-17(12)14)9-15(13-6-8-25-10-13)23-11-19-21-22-23/h1-8,10-11,15H,9H2,(H,20,24)/t15-/m1/s1
InChIKeyLWLILVGEHXJNLB-OAHLLOKOSA-N
MW350.41 g/mol
LogP2.90
Rot. Bonds5

About (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide

(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (PubChem CID 125433329) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.

Molecular Properties

Compound Name(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
PubChem CID125433329
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
SMILESO=C(C[C@H](c1ccsc1)n1cnnn1)Nc1cccc2cccnc12
InChIInChI=1S/C17H14N6OS/c24-16(20-14-5-1-3-12-4-2-7-18-17(12)14)9-15(13-6-8-25-10-13)23-11-19-21-22-23/h1-8,10-11,15H,9H2,(H,20,24)/t15-/m1/s1
InChIKeyLWLILVGEHXJNLB-OAHLLOKOSA-N
XLogP2.90
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(2-methylpropyl)indol-4-yl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 128963485
(3R)-N-(1-methylpyrazol-3-yl)-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125431338
(3R)-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide
CID 125433965
(3R)-N-(2-methoxy-3-pyridinyl)-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125434250
2-fluoro-N-quinolin-8-ylacetamide
CID 175257606
(3R)-N-pyridin-2-yl-3-pyrrol-1-yl-3-thiophen-3-ylpropanamide
CID 125124241
2-(4-hydroxyphenyl)-N-quinolin-8-ylacetamide
CID 78837371
2-[2-oxo-2-(quinolin-8-ylamino)ethyl]sulfanylacetic acid
CID 104569029
(3R)-3-methyl-4-phenyl-N-quinolin-8-ylbutanamide
CID 122231949
methyl 4-oxo-4-(quinolin-8-ylamino)butanoate
CID 47150813
3-(cyanomethyl)-N-quinolin-8-ylhexanamide
CID 132516611
N-(2-methylpropyl)-N'-quinolin-8-yloxamide
CID 47225581

Frequently Asked Questions

What is the IUPAC name of (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The IUPAC name of (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide (CID 125433329) is (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide.
What is the SMILES notation for (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The canonical SMILES for (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is O=C(C[C@H](c1ccsc1)n1cnnn1)Nc1cccc2cccnc12.
What is the InChIKey of (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
The InChIKey is LWLILVGEHXJNLB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14N6OS/c24-16(20-14-5-1-3-12-4-2-7-18-17(12)14)9-15(13-6-8-25-10-13)23-11-19-21-22-23/h1-8,10-11,15H,9H2,(H,20,24)/t15-/m1/s1.
What are the key properties of (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide?
(3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide has a molecular weight of 350.41 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-quinolin-8-yl-3-(tetrazol-1-yl)-3-thiophen-3-ylpropanamide is sourced from PubChem (CID 125433329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).