N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine

C16H21N3 — CID 174963727

IUPACN,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine
SMILESCc1cc(N(C)C2CCN(C)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-12-10-16(14-6-4-5-7-15(14)17-12)19(3)13-8-9-18(2)11-13/h4-7,10,13H,8-9,11H2,1-3H3
InChIKeyOJNMCPNDQZQWKG-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.68
Rot. Bonds2

About N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine

N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine (PubChem CID 174963727) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine
PubChem CID174963727
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine
SMILESCc1cc(N(C)C2CCN(C)C2)c2ccccc2n1
InChIInChI=1S/C16H21N3/c1-12-10-16(14-6-4-5-7-15(14)17-12)19(3)13-8-9-18(2)11-13/h4-7,10,13H,8-9,11H2,1-3H3
InChIKeyOJNMCPNDQZQWKG-UHFFFAOYSA-N
XLogP2.68
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine?
The IUPAC name of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine (CID 174963727) is N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine.
What is the SMILES notation for N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine?
The canonical SMILES for N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine is Cc1cc(N(C)C2CCN(C)C2)c2ccccc2n1.
What is the InChIKey of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine?
The InChIKey is OJNMCPNDQZQWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-12-10-16(14-6-4-5-7-15(14)17-12)19(3)13-8-9-18(2)11-13/h4-7,10,13H,8-9,11H2,1-3H3.
What are the key properties of N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine?
N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine has a molecular weight of 255.37 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-(1-methylpyrrolidin-3-yl)quinolin-4-amine is sourced from PubChem (CID 174963727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).