4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol

C19H25NO — CID 81196652

IUPAC4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc3ncccc3c2)CC1
InChIInChI=1S/C19H25NO/c1-14(2)15-5-3-10-19(21,11-9-15)17-7-8-18-16(13-17)6-4-12-20-18/h4,6-8,12-15,21H,3,5,9-11H2,1-2H3
InChIKeyPAUSPUBEWPMFRB-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.66
Rot. Bonds2

About 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol

4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol (PubChem CID 81196652) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol.

Molecular Properties

Compound Name4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
PubChem CID81196652
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol
SMILESCC(C)C1CCCC(O)(c2ccc3ncccc3c2)CC1
InChIInChI=1S/C19H25NO/c1-14(2)15-5-3-10-19(21,11-9-15)17-7-8-18-16(13-17)6-4-12-20-18/h4,6-8,12-15,21H,3,5,9-11H2,1-2H3
InChIKeyPAUSPUBEWPMFRB-UHFFFAOYSA-N
XLogP4.66
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol?
The IUPAC name of 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol (CID 81196652) is 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol.
What is the SMILES notation for 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol?
The canonical SMILES for 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol is CC(C)C1CCCC(O)(c2ccc3ncccc3c2)CC1.
What is the InChIKey of 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol?
The InChIKey is PAUSPUBEWPMFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14(2)15-5-3-10-19(21,11-9-15)17-7-8-18-16(13-17)6-4-12-20-18/h4,6-8,12-15,21H,3,5,9-11H2,1-2H3.
What are the key properties of 4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol?
4-propan-2-yl-1-quinolin-6-ylcycloheptan-1-ol has a molecular weight of 283.42 g/mol, XLogP of 4.66, 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-quinolin-6-ylcycloheptan-1-ol is sourced from PubChem (CID 81196652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).