1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one

C14H17N5OS — CID 154349442

IUPAC1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one
SMILESCn1nnnc1SCCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C14H17N5OS/c1-18-14(15-16-17-18)21-10-4-9-19-12-6-3-2-5-11(12)7-8-13(19)20/h2-3,5-6H,4,7-10H2,1H3
InChIKeyGDLVFFIVNSNLAQ-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.67
Rot. Bonds5

About 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one

1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one (PubChem CID 154349442) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one
PubChem CID154349442
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one
SMILESCn1nnnc1SCCCN1C(=O)CCc2ccccc21
InChIInChI=1S/C14H17N5OS/c1-18-14(15-16-17-18)21-10-4-9-19-12-6-3-2-5-11(12)7-8-13(19)20/h2-3,5-6H,4,7-10H2,1H3
InChIKeyGDLVFFIVNSNLAQ-UHFFFAOYSA-N
XLogP1.67
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylsulfanylpropyl)-3,4-dihydroquinolin-2-one
CID 104863706
1-hexyl-3,4-dihydroquinolin-2-one
CID 91805726
1-(4-hydroxybutyl)-3,4-dihydroquinolin-2-one
CID 43509835
1-(5-aminopentyl)-3,4-dihydroquinolin-2-one
CID 54965763
1-(2-chloroethyl)-3,4-dihydroquinolin-2-one
CID 12992360
1-ethyl-3,4-dihydroquinolin-2-one
CID 14580225
4-(1-methyltetrazol-5-yl)sulfanyl-1-phenylbutan-1-one
CID 13091625
1-[3-(methylamino)propyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 61388037
3-(2-oxo-3,4-dihydroquinolin-1-yl)propanethioamide
CID 24704433
N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]aniline
CID 62578977
2-[6-(1-methyltetrazol-5-yl)sulfanylhexylsulfanyl]pyridine
CID 13061945
3-(1-methyltetrazol-5-yl)sulfanylpropan-1-ol
CID 43388613

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one (CID 154349442) is 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one is Cn1nnnc1SCCCN1C(=O)CCc2ccccc21.
What is the InChIKey of 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one?
The InChIKey is GDLVFFIVNSNLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-18-14(15-16-17-18)21-10-4-9-19-12-6-3-2-5-11(12)7-8-13(19)20/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one?
1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one has a molecular weight of 303.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methyltetrazol-5-yl)sulfanylpropyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 154349442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).