3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine

C18H25N3 — CID 63229429

IUPAC3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCC1CCN(C(C)C)C1
InChIInChI=1S/C18H25N3/c1-13(2)21-9-8-15(12-21)11-19-18-14(3)10-16-6-4-5-7-17(16)20-18/h4-7,10,13,15H,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyUMAUAWGMUFVOAG-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.69
Rot. Bonds4

About 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine

3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine (PubChem CID 63229429) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine
PubChem CID63229429
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine
SMILESCc1cc2ccccc2nc1NCC1CCN(C(C)C)C1
InChIInChI=1S/C18H25N3/c1-13(2)21-9-8-15(12-21)11-19-18-14(3)10-16-6-4-5-7-17(16)20-18/h4-7,10,13,15H,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyUMAUAWGMUFVOAG-UHFFFAOYSA-N
XLogP3.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine?
The IUPAC name of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine (CID 63229429) is 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine?
The canonical SMILES for 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine is Cc1cc2ccccc2nc1NCC1CCN(C(C)C)C1.
What is the InChIKey of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine?
The InChIKey is UMAUAWGMUFVOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-13(2)21-9-8-15(12-21)11-19-18-14(3)10-16-6-4-5-7-17(16)20-18/h4-7,10,13,15H,8-9,11-12H2,1-3H3,(H,19,20).
What are the key properties of 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine?
3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine has a molecular weight of 283.42 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]quinolin-2-amine is sourced from PubChem (CID 63229429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).