3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol

C19H24N2OS2 — CID 91791309

IUPAC3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol
SMILESOC1CC(C(NC2CSCCSC2)c2cnc3ccccc3c2)C1
InChIInChI=1S/C19H24N2OS2/c22-17-8-14(9-17)19(21-16-11-23-5-6-24-12-16)15-7-13-3-1-2-4-18(13)20-10-15/h1-4,7,10,14,16-17,19,21-22H,5-6,8-9,11-12H2
InChIKeyDRLHKJJTGNIXID-UHFFFAOYSA-N
MW360.55 g/mol
LogP3.48
Rot. Bonds4

About 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol

3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol (PubChem CID 91791309) has the molecular formula C19H24N2OS2 and a molecular weight of 360.55 g/mol. Its IUPAC name is 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol
PubChem CID91791309
Molecular FormulaC19H24N2OS2
Molecular Weight360.55 g/mol
Exact Mass360.13
IUPAC Name3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol
SMILESOC1CC(C(NC2CSCCSC2)c2cnc3ccccc3c2)C1
InChIInChI=1S/C19H24N2OS2/c22-17-8-14(9-17)19(21-16-11-23-5-6-24-12-16)15-7-13-3-1-2-4-18(13)20-10-15/h1-4,7,10,14,16-17,19,21-22H,5-6,8-9,11-12H2
InChIKeyDRLHKJJTGNIXID-UHFFFAOYSA-N
XLogP3.48
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.55
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[quinolin-3-yl(thiolan-3-yl)methyl]hydrazine
CID 105286981
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]butanamide
CID 91765727
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]pyridazine-4-carboxamide
CID 91782979
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2-thiophen-2-ylacetamide
CID 91764754
3-amino-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91774940
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-2,5-dimethylpyrazole-3-carboxamide
CID 91768658
5-chloro-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 91785775
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-methylpyridine-4-carboxamide
CID 91763890
N-[(4-methylthiomorpholin-3-yl)-quinolin-3-ylmethyl]ethanamine
CID 106445061
2-ethyl-N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 91796101
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-1-methylimidazole-4-sulfonamide
CID 91771801
N-[(3-hydroxycyclobutyl)-quinolin-3-ylmethyl]-3-pyrazol-1-ylpropanamide
CID 91781261

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol?
The IUPAC name of 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol (CID 91791309) is 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol?
The canonical SMILES for 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol is OC1CC(C(NC2CSCCSC2)c2cnc3ccccc3c2)C1.
What is the InChIKey of 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol?
The InChIKey is DRLHKJJTGNIXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2OS2/c22-17-8-14(9-17)19(21-16-11-23-5-6-24-12-16)15-7-13-3-1-2-4-18(13)20-10-15/h1-4,7,10,14,16-17,19,21-22H,5-6,8-9,11-12H2.
What are the key properties of 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol?
3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol has a molecular weight of 360.55 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dithiepan-6-ylamino)-quinolin-3-ylmethyl]cyclobutan-1-ol is sourced from PubChem (CID 91791309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).