2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine

C21H22N2O — CID 133353384

IUPAC2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
SMILESCc1cc(NCC2CCOC2c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H22N2O/c1-15-13-20(18-9-5-6-10-19(18)23-15)22-14-17-11-12-24-21(17)16-7-3-2-4-8-16/h2-10,13,17,21H,11-12,14H2,1H3,(H,22,23)
InChIKeyPBCBMBMVNZQUPH-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.73
Rot. Bonds4

About 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine

2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine (PubChem CID 133353384) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
PubChem CID133353384
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine
SMILESCc1cc(NCC2CCOC2c2ccccc2)c2ccccc2n1
InChIInChI=1S/C21H22N2O/c1-15-13-20(18-9-5-6-10-19(18)23-15)22-14-17-11-12-24-21(17)16-7-3-2-4-8-16/h2-10,13,17,21H,11-12,14H2,1H3,(H,22,23)
InChIKeyPBCBMBMVNZQUPH-UHFFFAOYSA-N
XLogP4.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminocyclopentyl)methyl]-2-methylquinolin-4-amine
CID 106127195
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
2-methyl-N-[(4-methylmorpholin-3-yl)methyl]quinolin-4-amine
CID 154842506
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-methylquinolin-4-amine
CID 60858147
2-methyl-3-[[(2-methylquinolin-4-yl)amino]methyl]oxolan-3-ol
CID 106102375
6-bromo-N-[(2-phenyloxolan-3-yl)methyl]quinazolin-4-amine
CID 133353341
6-chloro-4-N-[(2-phenyloxolan-3-yl)methyl]pyrimidine-2,4-diamine
CID 133353479
bis(N,N'-bis(2-methylquinolin-4-yl)decane-1,10-diamine);bis(N,N'-bis(2-methylquinolin-4-yl)dodecane-1,12-diamine);hydrate
CID 158378182
N-[(4-ethylphenyl)methyl]-2-methylquinolin-4-amine
CID 106900074
4-chloro-2-[(2-phenyloxolan-3-yl)methylamino]benzonitrile
CID 133353309
N'-(2-methylquinolin-4-yl)ethane-1,2-diamine;dihydrochloride
CID 46735889
(1S,5R,6R)-7,7-dimethyl-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 129328478

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine?
The IUPAC name of 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine (CID 133353384) is 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine is Cc1cc(NCC2CCOC2c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine?
The InChIKey is PBCBMBMVNZQUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O/c1-15-13-20(18-9-5-6-10-19(18)23-15)22-14-17-11-12-24-21(17)16-7-3-2-4-8-16/h2-10,13,17,21H,11-12,14H2,1H3,(H,22,23).
What are the key properties of 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine?
2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine has a molecular weight of 318.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-phenyloxolan-3-yl)methyl]quinolin-4-amine is sourced from PubChem (CID 133353384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).