ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol

C107H151N9O4S2 — CID 167643095

IUPACethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccc2cnccc12.CC(C)c1cccc2nc(N)sc12.CC(C)c1cccc2ncc(CO)cc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ncsc12.COc1cnc2cccc(C(C)C)c2c1.Cc1nc2cccc(C(C)C)c2o1
InChIInChI=1S/2C13H15NO.2C12H13N.C11H13NO.C10H12N2S.C10H11NO.C10H11NS.8C2H6/c1-9(2)11-5-4-6-13-12(11)7-10(15-3)8-14-13;1-9(2)11-4-3-5-13-12(11)6-10(8-15)7-14-13;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;8*1-2/h4-9H,1-3H3;3-7,9,15H,8H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3;8*1-2H3
InChIKeyPLJSXLFRNGDCTL-UHFFFAOYSA-N
MW1691.58 g/mol
LogP33.78
Rot. Bonds10

About ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol

ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol (PubChem CID 167643095) has the molecular formula C107H151N9O4S2 and a molecular weight of 1691.58 g/mol. Its IUPAC name is ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol.

Molecular Properties

Compound Nameethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol
PubChem CID167643095
Molecular FormulaC107H151N9O4S2
Molecular Weight1691.58 g/mol
Exact Mass1690.13
IUPAC Nameethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccc2cnccc12.CC(C)c1cccc2nc(N)sc12.CC(C)c1cccc2ncc(CO)cc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ncsc12.COc1cnc2cccc(C(C)C)c2c1.Cc1nc2cccc(C(C)C)c2o1
InChIInChI=1S/2C13H15NO.2C12H13N.C11H13NO.C10H12N2S.C10H11NO.C10H11NS.8C2H6/c1-9(2)11-5-4-6-13-12(11)7-10(15-3)8-14-13;1-9(2)11-4-3-5-13-12(11)6-10(8-15)7-14-13;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;8*1-2/h4-9H,1-3H3;3-7,9,15H,8H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3;8*1-2H3
InChIKeyPLJSXLFRNGDCTL-UHFFFAOYSA-N
XLogP33.78
TPSA184.88 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001691.58
LogP ≤ 533.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol 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

ethane;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole
CID 167627604
7-tert-butyl-1,3-benzothiazol-2-amine;7-tert-butyl-1,3-benzothiazole;5-tert-butyl-3-methoxyquinoline;7-tert-butyl-2-methyl-1,3-benzoxazole;5-tert-butylquinazoline;5-tert-butylquinoline;bis((5-tert-butylquinolin-3-yl)methanol);ethane
CID 158916330
ethane;7-propan-2-yl-1,3-benzothiazol-2-amine
CID 167552566
CID 158967293
CID 158967293
1-(3-methoxyquinolin-5-yl)ethanol
CID 141175761
(1R)-1-(3-methoxyquinolin-5-yl)ethane-1,2-diol
CID 141137953
2-(4-methoxyphenyl)-1-quinolin-5-ylethanamine
CID 81227594
(4-methoxythiophen-2-yl)-quinolin-5-ylmethanol
CID 115826281
isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
(3-methoxy-4-pyridinyl)-quinolin-5-ylmethanol
CID 105066393
2-amino-2-isoquinolin-5-ylethanol
CID 55271452

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol?
The IUPAC name of ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol (CID 167643095) is ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol.
What is the SMILES notation for ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol?
The canonical SMILES for ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol is CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccc2cnccc12.CC(C)c1cccc2nc(N)sc12.CC(C)c1cccc2ncc(CO)cc12.CC(C)c1cccc2ncccc12.CC(C)c1cccc2ncoc12.CC(C)c1cccc2ncsc12.COc1cnc2cccc(C(C)C)c2c1.Cc1nc2cccc(C(C)C)c2o1.
What is the InChIKey of ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol?
The InChIKey is PLJSXLFRNGDCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H15NO.2C12H13N.C11H13NO.C10H12N2S.C10H11NO.C10H11NS.8C2H6/c1-9(2)11-5-4-6-13-12(11)7-10(15-3)8-14-13;1-9(2)11-4-3-5-13-12(11)6-10(8-15)7-14-13;1-9(2)10-5-3-7-12-11(10)6-4-8-13-12;1-9(2)11-5-3-4-10-8-13-7-6-12(10)11;1-7(2)9-5-4-6-10-11(9)13-8(3)12-10;1-6(2)7-4-3-5-8-9(7)13-10(11)12-8;2*1-7(2)8-4-3-5-9-10(8)12-6-11-9;8*1-2/h4-9H,1-3H3;3-7,9,15H,8H2,1-2H3;2*3-9H,1-2H3;4-7H,1-3H3;3-6H,1-2H3,(H2,11,12);2*3-7H,1-2H3;8*1-2H3.
What are the key properties of ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol?
ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol has a molecular weight of 1691.58 g/mol, XLogP of 33.78, 10 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-5-propan-2-ylquinoline;2-methyl-7-propan-2-yl-1,3-benzoxazole;7-propan-2-yl-1,3-benzothiazol-2-amine;7-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzoxazole;5-propan-2-ylisoquinoline;5-propan-2-ylquinoline;(5-propan-2-ylquinolin-3-yl)methanol is sourced from PubChem (CID 167643095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).