N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide

C19H22N2O — CID 112835510

IUPACN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)c1ccnc2ccccc12
InChIInChI=1S/C19H22N2O/c22-19(17-8-10-20-18-4-2-1-3-16(17)18)21-9-7-15-12-13-5-6-14(15)11-13/h1-4,8,10,13-15H,5-7,9,11-12H2,(H,21,22)
InChIKeyKHBAAKIXYSZWQF-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.79
Rot. Bonds4

About N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide

N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide (PubChem CID 112835510) has the molecular formula C19H22N2O and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
PubChem CID112835510
Molecular FormulaC19H22N2O
Molecular Weight294.40 g/mol
Exact Mass294.17
IUPAC NameN-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide
SMILESO=C(NCCC1CC2CCC1C2)c1ccnc2ccccc12
InChIInChI=1S/C19H22N2O/c22-19(17-8-10-20-18-4-2-1-3-16(17)18)21-9-7-15-12-13-5-6-14(15)11-13/h1-4,8,10,13-15H,5-7,9,11-12H2,(H,21,22)
InChIKeyKHBAAKIXYSZWQF-UHFFFAOYSA-N
XLogP3.79
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide (CID 112835510) is N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide is O=C(NCCC1CC2CCC1C2)c1ccnc2ccccc12.
What is the InChIKey of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide?
The InChIKey is KHBAAKIXYSZWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O/c22-19(17-8-10-20-18-4-2-1-3-16(17)18)21-9-7-15-12-13-5-6-14(15)11-13/h1-4,8,10,13-15H,5-7,9,11-12H2,(H,21,22).
What are the key properties of N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide?
N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bicyclo[2.2.1]heptanyl)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 112835510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).