2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide

C15H20N2O — CID 167951155

IUPAC2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide
SMILESCC1(CC(=O)Nc2ccnc3c2CCCC3)CC1
InChIInChI=1S/C15H20N2O/c1-15(7-8-15)10-14(18)17-13-6-9-16-12-5-3-2-4-11(12)13/h6,9H,2-5,7-8,10H2,1H3,(H,16,17,18)
InChIKeyNTGHHIQDDNWNBD-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.09
Rot. Bonds3

About 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide

2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide (PubChem CID 167951155) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide
PubChem CID167951155
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide
SMILESCC1(CC(=O)Nc2ccnc3c2CCCC3)CC1
InChIInChI=1S/C15H20N2O/c1-15(7-8-15)10-14(18)17-13-6-9-16-12-5-3-2-4-11(12)13/h6,9H,2-5,7-8,10H2,1H3,(H,16,17,18)
InChIKeyNTGHHIQDDNWNBD-UHFFFAOYSA-N
XLogP3.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The IUPAC name of 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide (CID 167951155) is 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide.
What is the SMILES notation for 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The canonical SMILES for 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide is CC1(CC(=O)Nc2ccnc3c2CCCC3)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
The InChIKey is NTGHHIQDDNWNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-15(7-8-15)10-14(18)17-13-6-9-16-12-5-3-2-4-11(12)13/h6,9H,2-5,7-8,10H2,1H3,(H,16,17,18).
What are the key properties of 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide?
2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide has a molecular weight of 244.34 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)-N-(5,6,7,8-tetrahydroquinolin-4-yl)acetamide is sourced from PubChem (CID 167951155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).