2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone

C16H23N3O — CID 63095254

IUPAC2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNCc1ccc2c(c1)CCCN2CC(=O)N1CCCC1
InChIInChI=1S/C16H23N3O/c17-11-13-5-6-15-14(10-13)4-3-9-19(15)12-16(20)18-7-1-2-8-18/h5-6,10H,1-4,7-9,11-12,17H2
InChIKeyYFYFABLZEIAAQH-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.52
Rot. Bonds3

About 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone

2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 63095254) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID63095254
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone
SMILESNCc1ccc2c(c1)CCCN2CC(=O)N1CCCC1
InChIInChI=1S/C16H23N3O/c17-11-13-5-6-15-14(10-13)4-3-9-19(15)12-16(20)18-7-1-2-8-18/h5-6,10H,1-4,7-9,11-12,17H2
InChIKeyYFYFABLZEIAAQH-UHFFFAOYSA-N
XLogP1.52
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78870942
(1-heptyl-3,4-dihydro-2H-quinolin-6-yl)methanamine
CID 63527146
methyl 1-[2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 47006349
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 9329012
ethyl 2-(6-amino-3,4-dihydro-2H-quinolin-1-yl)acetate
CID 60735402
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 56828575
2-[(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methyl]prop-2-en-1-amine
CID 103069126
3-[6-(aminomethyl)-2-oxo-3,4-dihydroquinolin-1-yl]-3-oxopropanenitrile
CID 115173082
1-(azepan-1-yl)-3-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 109033505
2-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 119833975
2-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-1-(2-methylmorpholin-4-yl)ethanone
CID 56809620

Frequently Asked Questions

What is the IUPAC name of 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone (CID 63095254) is 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone is NCc1ccc2c(c1)CCCN2CC(=O)N1CCCC1.
What is the InChIKey of 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is YFYFABLZEIAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-11-13-5-6-15-14(10-13)4-3-9-19(15)12-16(20)18-7-1-2-8-18/h5-6,10H,1-4,7-9,11-12,17H2.
What are the key properties of 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone?
2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 273.38 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63095254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).