2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline

C15H15N5S — CID 51112951

IUPAC2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline
SMILESCc1cc(SCc2nnnn2C2CC2)nc2ccccc12
InChIInChI=1S/C15H15N5S/c1-10-8-15(16-13-5-3-2-4-12(10)13)21-9-14-17-18-19-20(14)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3
InChIKeyRDXQDBWPPJBNIA-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.16
Rot. Bonds4

About 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline

2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline (PubChem CID 51112951) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline.

Molecular Properties

Compound Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline
PubChem CID51112951
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline
SMILESCc1cc(SCc2nnnn2C2CC2)nc2ccccc12
InChIInChI=1S/C15H15N5S/c1-10-8-15(16-13-5-3-2-4-12(10)13)21-9-14-17-18-19-20(14)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3
InChIKeyRDXQDBWPPJBNIA-UHFFFAOYSA-N
XLogP3.16
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline?
The IUPAC name of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline (CID 51112951) is 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline.
What is the SMILES notation for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline?
The canonical SMILES for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline is Cc1cc(SCc2nnnn2C2CC2)nc2ccccc12.
What is the InChIKey of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline?
The InChIKey is RDXQDBWPPJBNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-10-8-15(16-13-5-3-2-4-12(10)13)21-9-14-17-18-19-20(14)11-6-7-11/h2-5,8,11H,6-7,9H2,1H3.
What are the key properties of 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline?
2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline has a molecular weight of 297.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropyltetrazol-5-yl)methylsulfanyl]-4-methylquinoline is sourced from PubChem (CID 51112951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).