N-methyl-2-quinolin-7-yloxycycloheptan-1-amine

C17H22N2O — CID 107313438

IUPACN-methyl-2-quinolin-7-yloxycycloheptan-1-amine
SMILESCNC1CCCCCC1Oc1ccc2cccnc2c1
InChIInChI=1S/C17H22N2O/c1-18-15-7-3-2-4-8-17(15)20-14-10-9-13-6-5-11-19-16(13)12-14/h5-6,9-12,15,17-18H,2-4,7-8H2,1H3
InChIKeyCBLJZWLOAQSXSY-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.53
Rot. Bonds3

About N-methyl-2-quinolin-7-yloxycycloheptan-1-amine

N-methyl-2-quinolin-7-yloxycycloheptan-1-amine (PubChem CID 107313438) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is N-methyl-2-quinolin-7-yloxycycloheptan-1-amine.

Molecular Properties

Compound NameN-methyl-2-quinolin-7-yloxycycloheptan-1-amine
PubChem CID107313438
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC NameN-methyl-2-quinolin-7-yloxycycloheptan-1-amine
SMILESCNC1CCCCCC1Oc1ccc2cccnc2c1
InChIInChI=1S/C17H22N2O/c1-18-15-7-3-2-4-8-17(15)20-14-10-9-13-6-5-11-19-16(13)12-14/h5-6,9-12,15,17-18H,2-4,7-8H2,1H3
InChIKeyCBLJZWLOAQSXSY-UHFFFAOYSA-N
XLogP3.53
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-quinolin-7-yloxycycloheptan-1-amine?
The IUPAC name of N-methyl-2-quinolin-7-yloxycycloheptan-1-amine (CID 107313438) is N-methyl-2-quinolin-7-yloxycycloheptan-1-amine.
What is the SMILES notation for N-methyl-2-quinolin-7-yloxycycloheptan-1-amine?
The canonical SMILES for N-methyl-2-quinolin-7-yloxycycloheptan-1-amine is CNC1CCCCCC1Oc1ccc2cccnc2c1.
What is the InChIKey of N-methyl-2-quinolin-7-yloxycycloheptan-1-amine?
The InChIKey is CBLJZWLOAQSXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-18-15-7-3-2-4-8-17(15)20-14-10-9-13-6-5-11-19-16(13)12-14/h5-6,9-12,15,17-18H,2-4,7-8H2,1H3.
What are the key properties of N-methyl-2-quinolin-7-yloxycycloheptan-1-amine?
N-methyl-2-quinolin-7-yloxycycloheptan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-quinolin-7-yloxycycloheptan-1-amine is sourced from PubChem (CID 107313438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).