3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

C22H27N7O — CID 66800205

IUPAC3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)C3CCN(C)C3)nc12
InChIInChI=1S/C22H27N7O/c1-14-5-4-6-15-11-16(12-26-22(30)19-20(23)25-9-8-24-19)21(27-18(14)15)29(3)17-7-10-28(2)13-17/h4-6,8-9,11,17H,7,10,12-13H2,1-3H3,(H2,23,25)(H,26,30)
InChIKeyUVSHHUPUUFPNJA-UHFFFAOYSA-N
MW405.51 g/mol
LogP1.99
Rot. Bonds5

About 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 66800205) has the molecular formula C22H27N7O and a molecular weight of 405.51 g/mol. Its IUPAC name is 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID66800205
Molecular FormulaC22H27N7O
Molecular Weight405.51 g/mol
Exact Mass405.23
IUPAC Name3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)C3CCN(C)C3)nc12
InChIInChI=1S/C22H27N7O/c1-14-5-4-6-15-11-16(12-26-22(30)19-20(23)25-9-8-24-19)21(27-18(14)15)29(3)17-7-10-28(2)13-17/h4-6,8-9,11,17H,7,10,12-13H2,1-3H3,(H2,23,25)(H,26,30)
InChIKeyUVSHHUPUUFPNJA-UHFFFAOYSA-N
XLogP1.99
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.51
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 66800205) is 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)C3CCN(C)C3)nc12.
What is the InChIKey of 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is UVSHHUPUUFPNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N7O/c1-14-5-4-6-15-11-16(12-26-22(30)19-20(23)25-9-8-24-19)21(27-18(14)15)29(3)17-7-10-28(2)13-17/h4-6,8-9,11,17H,7,10,12-13H2,1-3H3,(H2,23,25)(H,26,30).
What are the key properties of 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 405.51 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66800205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).