3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline

C18H19N3 — CID 105172596

IUPAC3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2ccc3cccnc3c2)c1
InChIInChI=1S/C18H19N3/c1-21(2)16-7-3-5-14(11-16)18(19)15-9-8-13-6-4-10-20-17(13)12-15/h3-12,18H,19H2,1-2H3
InChIKeyXUQNNPMZYDFMPQ-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.35
Rot. Bonds3

About 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline

3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline (PubChem CID 105172596) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
PubChem CID105172596
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline
SMILESCN(C)c1cccc(C(N)c2ccc3cccnc3c2)c1
InChIInChI=1S/C18H19N3/c1-21(2)16-7-3-5-14(11-16)18(19)15-9-8-13-6-4-10-20-17(13)12-15/h3-12,18H,19H2,1-2H3
InChIKeyXUQNNPMZYDFMPQ-UHFFFAOYSA-N
XLogP3.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-ylphenyl)-quinolin-7-ylmethanamine
CID 81210653
pyrimidin-2-yl(quinolin-7-yl)methanamine
CID 81220998
3-[amino-(6-methyl-3-pyridinyl)methyl]-N,N-dimethylaniline
CID 105146180
(3-chloro-2-pyridinyl)-quinolin-7-ylmethanamine
CID 103443918
pyridin-2-yl(quinolin-7-yl)methanamine
CID 81220993
2,2-dimethyl-1-quinolin-7-ylpropan-1-amine
CID 81220535
(5-methylfuran-2-yl)-quinolin-7-ylmethanamine
CID 105021486
(5-methylpyrazin-2-yl)-quinolin-7-ylmethanamine
CID 105172668
(2,5-dimethylphenyl)-quinolin-7-ylmethanamine
CID 105021483
3-[amino-(3,5-difluorophenyl)methyl]-N,N-dimethylaniline
CID 105141994
3-[amino-(4-fluoro-3-methylphenyl)methyl]-N,N-dimethylaniline
CID 105142950
(1-methylcyclopropyl)-quinolin-7-ylmethanamine
CID 81231655

Frequently Asked Questions

What is the IUPAC name of 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline (CID 105172596) is 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline is CN(C)c1cccc(C(N)c2ccc3cccnc3c2)c1.
What is the InChIKey of 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline?
The InChIKey is XUQNNPMZYDFMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-21(2)16-7-3-5-14(11-16)18(19)15-9-8-13-6-4-10-20-17(13)12-15/h3-12,18H,19H2,1-2H3.
What are the key properties of 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline?
3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline has a molecular weight of 277.37 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(quinolin-7-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 105172596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).