(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol

C14H15NOS — CID 114269925

IUPAC(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol
SMILESCSC1(C(O)c2cccc3ncccc23)CC1
InChIInChI=1S/C14H15NOS/c1-17-14(7-8-14)13(16)11-4-2-6-12-10(11)5-3-9-15-12/h2-6,9,13,16H,7-8H2,1H3
InChIKeyOBAULSQVDWIVMU-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.16
Rot. Bonds3

About (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol

(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol (PubChem CID 114269925) has the molecular formula C14H15NOS and a molecular weight of 245.35 g/mol. Its IUPAC name is (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol.

Molecular Properties

Compound Name(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol
PubChem CID114269925
Molecular FormulaC14H15NOS
Molecular Weight245.35 g/mol
Exact Mass245.09
IUPAC Name(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol
SMILESCSC1(C(O)c2cccc3ncccc23)CC1
InChIInChI=1S/C14H15NOS/c1-17-14(7-8-14)13(16)11-4-2-6-12-10(11)5-3-9-15-12/h2-6,9,13,16H,7-8H2,1H3
InChIKeyOBAULSQVDWIVMU-UHFFFAOYSA-N
XLogP3.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-quinolin-5-ylethanol
CID 86326294
CID 158967293
CID 158967293
6-bicyclo[3.1.0]hexanyl(quinolin-5-yl)methanol
CID 115826271
(5-methylpyrazin-2-yl)-quinolin-5-ylmethanol
CID 105118175
5-(1-iodoethyl)quinoline
CID 130224458
(1R)-1-quinolin-5-ylethanamine
CID 55277010
(1-methoxycycloheptyl)-quinolin-5-ylmethanamine
CID 116769844
N-[(1-methylcyclopropyl)-quinolin-5-ylmethyl]ethanamine
CID 81232158
(4-iodophenyl)-quinolin-5-ylmethanol
CID 115826358
quinolin-5-yl-(2,4,5-trimethylfuran-3-yl)methanol
CID 115826290
1-cyclohexyl-2-quinolin-5-ylethane-1,2-diol
CID 103459285
2,3-dihydro-1H-inden-2-yl(quinolin-5-yl)methanol
CID 81209914

Frequently Asked Questions

What is the IUPAC name of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?
The IUPAC name of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol (CID 114269925) is (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol.
What is the SMILES notation for (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?
The canonical SMILES for (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol is CSC1(C(O)c2cccc3ncccc23)CC1.
What is the InChIKey of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?
The InChIKey is OBAULSQVDWIVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NOS/c1-17-14(7-8-14)13(16)11-4-2-6-12-10(11)5-3-9-15-12/h2-6,9,13,16H,7-8H2,1H3.
What are the key properties of (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol?
(1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol has a molecular weight of 245.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylsulfanylcyclopropyl)-quinolin-5-ylmethanol is sourced from PubChem (CID 114269925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).