4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol

C19H29NO — CID 79723752

IUPAC4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(C2CCCc3cccnc32)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-7-4-11-19(21,12-10-15)17-9-3-6-16-8-5-13-20-18(16)17/h5,8,13-15,17,21H,3-4,6-7,9-12H2,1-2H3
InChIKeyMZOXSCUZXNXKDF-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.47
Rot. Bonds2

About 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol

4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol (PubChem CID 79723752) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
PubChem CID79723752
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(C2CCCc3cccnc32)CC1
InChIInChI=1S/C19H29NO/c1-14(2)15-7-4-11-19(21,12-10-15)17-9-3-6-16-8-5-13-20-18(16)17/h5,8,13-15,17,21H,3-4,6-7,9-12H2,1-2H3
InChIKeyMZOXSCUZXNXKDF-UHFFFAOYSA-N
XLogP4.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 79739365
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)cycloheptan-1-ol
CID 79739276
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-3-methylcyclohexan-1-ol
CID 79739872
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-4-propan-2-ylcyclohexan-1-amine
CID 79745794
8-(2-propan-2-ylpyrrolidin-2-yl)-5,6,7,8-tetrahydroquinoline
CID 79748728
(8R)-8-propan-2-yl-5,6,7,8-tetrahydroquinoline
CID 58752937
4-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)azepan-4-ol
CID 103982975
2-methoxy-1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-ol
CID 106873740
1-(5,6,7,8-tetrahydroquinolin-8-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79723609
(4,4-difluorocyclohexyl)-(5,6,7,8-tetrahydroquinolin-8-yl)methanol
CID 105111320
1-(5,6,7,8-tetrahydroquinolin-8-yl)ethanol
CID 79739208
2-propyl-4-(5,6,7,8-tetrahydroquinolin-8-yl)oxan-4-ol
CID 79746070

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol?
The IUPAC name of 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol (CID 79723752) is 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol is CC(C)C1CCCC(O)(C2CCCc3cccnc32)CC1.
What is the InChIKey of 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol?
The InChIKey is MZOXSCUZXNXKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-14(2)15-7-4-11-19(21,12-10-15)17-9-3-6-16-8-5-13-20-18(16)17/h5,8,13-15,17,21H,3-4,6-7,9-12H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol?
4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol has a molecular weight of 287.45 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cycloheptan-1-ol is sourced from PubChem (CID 79723752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).