4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one

C13H18N2O — CID 84622908

IUPAC4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc2c(c1)N(C)C(=O)CC2CCN
InChIInChI=1S/C13H18N2O/c1-9-3-4-11-10(5-6-14)8-13(16)15(2)12(11)7-9/h3-4,7,10H,5-6,8,14H2,1-2H3
InChIKeyPDNWNWOMQAYEKQ-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.79
Rot. Bonds2

About 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one

4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one (PubChem CID 84622908) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one
PubChem CID84622908
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one
SMILESCc1ccc2c(c1)N(C)C(=O)CC2CCN
InChIInChI=1S/C13H18N2O/c1-9-3-4-11-10(5-6-14)8-13(16)15(2)12(11)7-9/h3-4,7,10H,5-6,8,14H2,1-2H3
InChIKeyPDNWNWOMQAYEKQ-UHFFFAOYSA-N
XLogP1.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one (CID 84622908) is 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one is Cc1ccc2c(c1)N(C)C(=O)CC2CCN.
What is the InChIKey of 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
The InChIKey is PDNWNWOMQAYEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9-3-4-11-10(5-6-14)8-13(16)15(2)12(11)7-9/h3-4,7,10H,5-6,8,14H2,1-2H3.
What are the key properties of 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one?
4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-1,7-dimethyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 84622908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).