1-cycloheptyl-3-quinolin-4-ylpropan-2-ol

C19H25NO — CID 115812509

IUPAC1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
SMILESOC(Cc1ccnc2ccccc12)CC1CCCCCC1
InChIInChI=1S/C19H25NO/c21-17(13-15-7-3-1-2-4-8-15)14-16-11-12-20-19-10-6-5-9-18(16)19/h5-6,9-12,15,17,21H,1-4,7-8,13-14H2
InChIKeyUHCSUGUAFWFWDY-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.50
Rot. Bonds4

About 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol

1-cycloheptyl-3-quinolin-4-ylpropan-2-ol (PubChem CID 115812509) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol.

Molecular Properties

Compound Name1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
PubChem CID115812509
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-cycloheptyl-3-quinolin-4-ylpropan-2-ol
SMILESOC(Cc1ccnc2ccccc12)CC1CCCCCC1
InChIInChI=1S/C19H25NO/c21-17(13-15-7-3-1-2-4-8-15)14-16-11-12-20-19-10-6-5-9-18(16)19/h5-6,9-12,15,17,21H,1-4,7-8,13-14H2
InChIKeyUHCSUGUAFWFWDY-UHFFFAOYSA-N
XLogP4.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(2S)-2-hydroxy-3-quinolin-4-ylpropyl]piperidin-1-yl]ethanone
CID 92534411
1-(1,3-dioxolan-2-yl)-3-quinolin-4-ylpropan-2-ol
CID 103547520
1-cyclobutyl-3-quinolin-4-ylpropan-2-amine
CID 103168915
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
1-cyclohexyl-3-quinolin-4-ylpropan-2-one
CID 114979761
(3-cyclopropyl-1-quinolin-4-ylbutan-2-yl)hydrazine
CID 105316345
1-cycloheptyl-3-(2-methylphenyl)propan-2-ol
CID 114458939
1-cyclobutyl-N-(quinolin-4-ylmethyl)methanamine
CID 63850221
4-(diethylamino)-1-quinolin-4-ylbutan-2-ol
CID 79087937
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
1-(3-methyloxolan-2-yl)-2-quinolin-4-ylethanol
CID 115812514
N-methyl-1-(oxan-2-yl)-2-quinolin-4-ylethanamine
CID 104997415

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol?
The IUPAC name of 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol (CID 115812509) is 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol.
What is the SMILES notation for 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol?
The canonical SMILES for 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol is OC(Cc1ccnc2ccccc12)CC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol?
The InChIKey is UHCSUGUAFWFWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c21-17(13-15-7-3-1-2-4-8-15)14-16-11-12-20-19-10-6-5-9-18(16)19/h5-6,9-12,15,17,21H,1-4,7-8,13-14H2.
What are the key properties of 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol?
1-cycloheptyl-3-quinolin-4-ylpropan-2-ol has a molecular weight of 283.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-quinolin-4-ylpropan-2-ol is sourced from PubChem (CID 115812509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).