N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine

C16H18N4S — CID 105172648

IUPACN-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2cccnc2c1)c1snnc1C
InChIInChI=1S/C16H18N4S/c1-3-8-18-15(16-11(2)19-20-21-16)13-7-6-12-5-4-9-17-14(12)10-13/h4-7,9-10,15,18H,3,8H2,1-2H3
InChIKeyWQJWVEANFVATMY-UHFFFAOYSA-N
MW298.42 g/mol
LogP3.48
Rot. Bonds5

About N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine

N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine (PubChem CID 105172648) has the molecular formula C16H18N4S and a molecular weight of 298.42 g/mol. Its IUPAC name is N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
PubChem CID105172648
Molecular FormulaC16H18N4S
Molecular Weight298.42 g/mol
Exact Mass298.13
IUPAC NameN-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc2cccnc2c1)c1snnc1C
InChIInChI=1S/C16H18N4S/c1-3-8-18-15(16-11(2)19-20-21-16)13-7-6-12-5-4-9-17-14(12)10-13/h4-7,9-10,15,18H,3,8H2,1-2H3
InChIKeyWQJWVEANFVATMY-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylthiadiazol-5-yl)-quinolin-7-ylmethyl]ethanamine
CID 105172687
[(4-propylthiadiazol-5-yl)-quinolin-7-ylmethyl]hydrazine
CID 105327517
N-[furan-2-yl(quinolin-7-yl)methyl]propan-1-amine
CID 81231383
N-[(5-chlorothiophen-2-yl)-quinolin-7-ylmethyl]propan-1-amine
CID 105021397
2-methyl-N-propyl-1-quinolin-7-ylpropan-1-amine
CID 81220696
N-[(3-methylthiophen-2-yl)-quinolin-7-ylmethyl]ethanamine
CID 105021434
N-[(3,5-dimethoxyphenyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105168373
N-(2-ethylsulfanyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81231399
N-[quinolin-6-yl(thiadiazol-4-yl)methyl]propan-1-amine
CID 105172339
N-[quinolin-6-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105172388
N-(2-cyclopropyl-1-quinolin-7-ylethyl)propan-1-amine
CID 81232087
N-[isoquinolin-8-yl-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 103137746

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine (CID 105172648) is N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine is CCCNC(c1ccc2cccnc2c1)c1snnc1C.
What is the InChIKey of N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine?
The InChIKey is WQJWVEANFVATMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4S/c1-3-8-18-15(16-11(2)19-20-21-16)13-7-6-12-5-4-9-17-14(12)10-13/h4-7,9-10,15,18H,3,8H2,1-2H3.
What are the key properties of N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine?
N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine has a molecular weight of 298.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylthiadiazol-5-yl)-quinolin-7-ylmethyl]propan-1-amine is sourced from PubChem (CID 105172648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).