ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline

C30H44N2 — CID 164904898

IUPACethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
SMILESCC.CC.CC(C)c1ccc2ccncc2c1.CCC.CCc1ccc2ncccc2c1
InChIInChI=1S/C12H13N.C11H11N.C3H8.2C2H6/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-2-9-5-6-11-10(8-9)4-3-7-12-11;1-3-2;2*1-2/h3-9H,1-2H3;3-8H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyHPOPGCMTPSBUOW-UHFFFAOYSA-N
MW432.70 g/mol
LogP9.62
Rot. Bonds2

About ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline

ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline (PubChem CID 164904898) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline.

Molecular Properties

Compound Nameethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
PubChem CID164904898
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC Nameethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline
SMILESCC.CC.CC(C)c1ccc2ccncc2c1.CCC.CCc1ccc2ncccc2c1
InChIInChI=1S/C12H13N.C11H11N.C3H8.2C2H6/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-2-9-5-6-11-10(8-9)4-3-7-12-11;1-3-2;2*1-2/h3-9H,1-2H3;3-8H,2H2,1H3;3H2,1-2H3;2*1-2H3
InChIKeyHPOPGCMTPSBUOW-UHFFFAOYSA-N
XLogP9.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 59.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethylbenzene;6-ethylquinoline
CID 143817758
6-propan-2-ylquinoline;sulfur dioxide
CID 162251791
(4-ethylphenyl)-quinolin-6-ylmethanol
CID 62876415
ethane;6-methylisoquinoline;6-methylquinoline
CID 142912911
6-(3-quinolin-6-ylbutan-2-yl)quinoline
CID 20658775
2-propan-2-ylquinoline;6-propan-2-ylquinoline
CID 67193731
3-ethylquinoline;quinoline
CID 174966721
7-propan-2-yl-2-(2-quinolin-6-ylpropyl)quinoxaline
CID 155582284
N-methyl-1-quinolin-6-ylpropan-1-amine
CID 63095975
ethane;3-ethyl-1,7-naphthyridine
CID 169252229
4-(quinolin-6-ylmethylsulfanyl)pyridin-3-amine
CID 43300080
3-(bromomethyl)-6-propan-2-ylquinoline
CID 95733004

Frequently Asked Questions

What is the IUPAC name of ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline?
The IUPAC name of ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline (CID 164904898) is ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline.
What is the SMILES notation for ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline?
The canonical SMILES for ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline is CC.CC.CC(C)c1ccc2ccncc2c1.CCC.CCc1ccc2ncccc2c1.
What is the InChIKey of ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline?
The InChIKey is HPOPGCMTPSBUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.C11H11N.C3H8.2C2H6/c1-9(2)11-4-3-10-5-6-13-8-12(10)7-11;1-2-9-5-6-11-10(8-9)4-3-7-12-11;1-3-2;2*1-2/h3-9H,1-2H3;3-8H,2H2,1H3;3H2,1-2H3;2*1-2H3.
What are the key properties of ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline?
ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline has a molecular weight of 432.70 g/mol, XLogP of 9.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethylquinoline;propane;7-propan-2-ylisoquinoline is sourced from PubChem (CID 164904898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).