(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane

C25H43NO — CID 142241706

IUPAC(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane
SMILESCC.CC.CCC[C@@H](C[C@@H](C)[C@@H](O)c1ccnc2ccccc12)C(C)CC
InChIInChI=1S/C21H31NO.2C2H6/c1-5-9-17(15(3)6-2)14-16(4)21(23)19-12-13-22-20-11-8-7-10-18(19)20;2*1-2/h7-8,10-13,15-17,21,23H,5-6,9,14H2,1-4H3;2*1-2H3/t15?,16-,17+,21-;;/m1../s1
InChIKeyDACBVGKACALAES-NOPWREFBSA-N
MW373.63 g/mol
LogP7.81
Rot. Bonds8

About (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane

(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane (PubChem CID 142241706) has the molecular formula C25H43NO and a molecular weight of 373.63 g/mol. Its IUPAC name is (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane.

Molecular Properties

Compound Name(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane
PubChem CID142241706
Molecular FormulaC25H43NO
Molecular Weight373.63 g/mol
Exact Mass373.33
IUPAC Name(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane
SMILESCC.CC.CCC[C@@H](C[C@@H](C)[C@@H](O)c1ccnc2ccccc12)C(C)CC
InChIInChI=1S/C21H31NO.2C2H6/c1-5-9-17(15(3)6-2)14-16(4)21(23)19-12-13-22-20-11-8-7-10-18(19)20;2*1-2/h7-8,10-13,15-17,21,23H,5-6,9,14H2,1-4H3;2*1-2H3/t15?,16-,17+,21-;;/m1../s1
InChIKeyDACBVGKACALAES-NOPWREFBSA-N
XLogP7.81
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.63
LogP ≤ 57.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane with MolForge

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Related Compounds

2-methyl-1-quinolin-5-ylpentan-1-ol
CID 81216641
3-methyl-1-quinolin-4-ylpentan-1-ol
CID 65149770
4-chloro-1-quinolin-4-ylbutane-1,2-diol
CID 171894027
1-quinolin-4-ylpropane-1-sulfonic acid
CID 90989010
(1S)-1-quinolin-4-ylpropan-1-amine;hydrochloride
CID 171236618
3-methyl-N-propyl-1-quinolin-4-ylhexan-1-amine
CID 105137955
(1S)-3-(3-ethenylpiperidin-4-yl)-2-methyl-1-quinolin-4-ylpropan-1-ol
CID 163525433
2-amino-1-quinolin-4-ylpropane-1,3-diol
CID 66206365
CID 160608048
CID 160608048
2-quinolin-4-ylpropanoic acid
CID 127018626
3-quinolin-4-ylpentan-2-one
CID 63196425
(1S)-1-quinolin-4-ylhexan-1-amine
CID 171236624

Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane?
The IUPAC name of (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane (CID 142241706) is (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane.
What is the SMILES notation for (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane?
The canonical SMILES for (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane is CC.CC.CCC[C@@H](C[C@@H](C)[C@@H](O)c1ccnc2ccccc12)C(C)CC.
What is the InChIKey of (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane?
The InChIKey is DACBVGKACALAES-NOPWREFBSA-N. The full InChI is InChI=1S/C21H31NO.2C2H6/c1-5-9-17(15(3)6-2)14-16(4)21(23)19-12-13-22-20-11-8-7-10-18(19)20;2*1-2/h7-8,10-13,15-17,21,23H,5-6,9,14H2,1-4H3;2*1-2H3/t15?,16-,17+,21-;;/m1../s1.
What are the key properties of (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane?
(1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane has a molecular weight of 373.63 g/mol, XLogP of 7.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-2,5-dimethyl-4-propyl-1-quinolin-4-ylheptan-1-ol;ethane is sourced from PubChem (CID 142241706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).