6-(2-cyclopropylazepan-2-yl)-2-methylquinoline

C19H24N2 — CID 81229508

IUPAC6-(2-cyclopropylazepan-2-yl)-2-methylquinoline
SMILESCc1ccc2cc(C3(C4CC4)CCCCCN3)ccc2n1
InChIInChI=1S/C19H24N2/c1-14-5-6-15-13-17(9-10-18(15)21-14)19(16-7-8-16)11-3-2-4-12-20-19/h5-6,9-10,13,16,20H,2-4,7-8,11-12H2,1H3
InChIKeyVALNYQZGJZRTPY-UHFFFAOYSA-N
MW280.42 g/mol
LogP4.31
Rot. Bonds2

About 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline

6-(2-cyclopropylazepan-2-yl)-2-methylquinoline (PubChem CID 81229508) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline.

Molecular Properties

Compound Name6-(2-cyclopropylazepan-2-yl)-2-methylquinoline
PubChem CID81229508
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name6-(2-cyclopropylazepan-2-yl)-2-methylquinoline
SMILESCc1ccc2cc(C3(C4CC4)CCCCCN3)ccc2n1
InChIInChI=1S/C19H24N2/c1-14-5-6-15-13-17(9-10-18(15)21-14)19(16-7-8-16)11-3-2-4-12-20-19/h5-6,9-10,13,16,20H,2-4,7-8,11-12H2,1H3
InChIKeyVALNYQZGJZRTPY-UHFFFAOYSA-N
XLogP4.31
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline?
The IUPAC name of 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline (CID 81229508) is 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline.
What is the SMILES notation for 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline?
The canonical SMILES for 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline is Cc1ccc2cc(C3(C4CC4)CCCCCN3)ccc2n1.
What is the InChIKey of 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline?
The InChIKey is VALNYQZGJZRTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2/c1-14-5-6-15-13-17(9-10-18(15)21-14)19(16-7-8-16)11-3-2-4-12-20-19/h5-6,9-10,13,16,20H,2-4,7-8,11-12H2,1H3.
What are the key properties of 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline?
6-(2-cyclopropylazepan-2-yl)-2-methylquinoline has a molecular weight of 280.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylazepan-2-yl)-2-methylquinoline is sourced from PubChem (CID 81229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).