4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine

C25H32N6O — CID 177174244

IUPAC4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
SMILESCOC1CCN(c2cc(-c3ccc(N4CCNCC4)nc3)nc3cc(N(C)C)ccc23)C1
InChIInChI=1S/C25H32N6O/c1-29(2)19-5-6-21-23(14-19)28-22(15-24(21)31-11-8-20(17-31)32-3)18-4-7-25(27-16-18)30-12-9-26-10-13-30/h4-7,14-16,20,26H,8-13,17H2,1-3H3
InChIKeyHYXMVXFXMZUCJN-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.00
Rot. Bonds5

About 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine

4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine (PubChem CID 177174244) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine.

Molecular Properties

Compound Name4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
PubChem CID177174244
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
SMILESCOC1CCN(c2cc(-c3ccc(N4CCNCC4)nc3)nc3cc(N(C)C)ccc23)C1
InChIInChI=1S/C25H32N6O/c1-29(2)19-5-6-21-23(14-19)28-22(15-24(21)31-11-8-20(17-31)32-3)18-4-7-25(27-16-18)30-12-9-26-10-13-30/h4-7,14-16,20,26H,8-13,17H2,1-3H3
InChIKeyHYXMVXFXMZUCJN-UHFFFAOYSA-N
XLogP3.00
TPSA56.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine with MolForge

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Related Compounds

4-chloro-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine
CID 177172690
4-[(1S,5S)-3,6-diazabicyclo[3.2.0]heptan-3-yl]-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177173294
[1-[2-[6-(azetidin-1-yl)-3-pyridinyl]-6-fluoro-7-methoxyquinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177174104
tert-butyl 4-[5-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]-7-methoxyquinolin-2-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 177173250
2-[6-(azetidin-1-yl)-3-pyridinyl]-6,7-dimethoxy-4-pyrrolidin-1-ylquinoline
CID 177174184
N,N-dimethyl-2-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-4-(2-oxa-7-azaspiro[3.4]octan-7-yl)quinolin-7-amine
CID 177173317
1-[5-(6-chloro-4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperazine
CID 86694860
7-methoxy-2-phenyl-4-piperazin-1-ylquinoline
CID 121237208
6-bromo-4-chloro-2-(6-piperazin-1-yl-3-pyridinyl)quinoline
CID 177172662
[1-[2-(4-piperazin-1-ylphenyl)quinolin-4-yl]pyrrolidin-3-yl]methanol
CID 177173832
[1-[7-methoxy-2-[4-[2-(methylamino)ethoxy]phenyl]quinolin-4-yl]pyrrolidin-3-yl] N-methylcarbamate
CID 177173899
2-[4-[4-[(3aR,7aR)-5-methyl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-7-(dimethylamino)quinolin-2-yl]phenoxy]ethyl N-methylcarbamate
CID 177173621

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
The IUPAC name of 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine (CID 177174244) is 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine.
What is the SMILES notation for 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
The canonical SMILES for 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine is COC1CCN(c2cc(-c3ccc(N4CCNCC4)nc3)nc3cc(N(C)C)ccc23)C1.
What is the InChIKey of 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
The InChIKey is HYXMVXFXMZUCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-29(2)19-5-6-21-23(14-19)28-22(15-24(21)31-11-8-20(17-31)32-3)18-4-7-25(27-16-18)30-12-9-26-10-13-30/h4-7,14-16,20,26H,8-13,17H2,1-3H3.
What are the key properties of 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine?
4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine has a molecular weight of 432.57 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxypyrrolidin-1-yl)-N,N-dimethyl-2-(6-piperazin-1-yl-3-pyridinyl)quinolin-7-amine is sourced from PubChem (CID 177174244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).