1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol

C16H23NO — CID 65042027

IUPAC1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
SMILESOC1(C2CCc3ccccc3N2)CCCCCC1
InChIInChI=1S/C16H23NO/c18-16(11-5-1-2-6-12-16)15-10-9-13-7-3-4-8-14(13)17-15/h3-4,7-8,15,17-18H,1-2,5-6,9-12H2
InChIKeyZWAVFCXHYZWNAP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.50
Rot. Bonds1

About 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol

1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol (PubChem CID 65042027) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
PubChem CID65042027
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
SMILESOC1(C2CCc3ccccc3N2)CCCCCC1
InChIInChI=1S/C16H23NO/c18-16(11-5-1-2-6-12-16)15-10-9-13-7-3-4-8-14(13)17-15/h3-4,7-8,15,17-18H,1-2,5-6,9-12H2
InChIKeyZWAVFCXHYZWNAP-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol 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

3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65042244
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65086041
3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclobutan-1-ol
CID 80561188
3-amino-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclopentan-1-ol
CID 80561812
2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65041592
1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
CID 65086096
4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol
CID 65075178
3-(2,3-dihydro-1H-indol-2-yl)pyrrolidin-3-ol
CID 65042492
1,5-dimethyl-3-(1,2,3,4-tetrahydroquinolin-2-yl)pyrrolidin-3-ol
CID 81467423
3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 80561154
4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol
CID 65077653
3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
CID 79949446

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
The IUPAC name of 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol (CID 65042027) is 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol.
What is the SMILES notation for 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
The canonical SMILES for 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol is OC1(C2CCc3ccccc3N2)CCCCCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
The InChIKey is ZWAVFCXHYZWNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c18-16(11-5-1-2-6-12-16)15-10-9-13-7-3-4-8-14(13)17-15/h3-4,7-8,15,17-18H,1-2,5-6,9-12H2.
What are the key properties of 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol?
1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol is sourced from PubChem (CID 65042027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).