3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

C26H34N8O3 — CID 56944985

IUPAC3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)CC(=O)N3CCOCC3)nc12
InChIInChI=1S/C26H34N8O3/c1-18-5-4-6-19-15-20(16-30-26(36)23-24(27)29-8-7-28-23)25(31-22(18)19)33(3)10-9-32(2)17-21(35)34-11-13-37-14-12-34/h4-8,15H,9-14,16-17H2,1-3H3,(H2,27,29)(H,30,36)
InChIKeyRXEKUDVAGQQQJI-UHFFFAOYSA-N
MW506.61 g/mol
LogP1.07
Rot. Bonds9

About 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 56944985) has the molecular formula C26H34N8O3 and a molecular weight of 506.61 g/mol. Its IUPAC name is 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID56944985
Molecular FormulaC26H34N8O3
Molecular Weight506.61 g/mol
Exact Mass506.28
IUPAC Name3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)CC(=O)N3CCOCC3)nc12
InChIInChI=1S/C26H34N8O3/c1-18-5-4-6-19-15-20(16-30-26(36)23-24(27)29-8-7-28-23)25(31-22(18)19)33(3)10-9-32(2)17-21(35)34-11-13-37-14-12-34/h4-8,15H,9-14,16-17H2,1-3H3,(H2,27,29)(H,30,36)
InChIKeyRXEKUDVAGQQQJI-UHFFFAOYSA-N
XLogP1.07
TPSA129.81 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.61
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

3-amino-N-[[8-methyl-2-[methyl-(1-methylpyrrolidin-3-yl)amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 66800205
3-amino-N-[[8-methyl-2-(2-pyridin-2-ylethylamino)quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 66800040
3-amino-N-[[8-methyl-2-[4-[(5-methylfuran-2-yl)methyl]-1,4-diazepan-1-yl]quinolin-3-yl]methyl]pyrazine-2-carboxamide
CID 56945079
2-[(2-chloro-7,8-dimethylquinolin-3-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 8711791
2-[(6-chloroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60570878
2-[2-(N-ethyl-2-methylanilino)ethyl-methylamino]-1-morpholin-4-ylethanone
CID 71047340
2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78880040
N-[(2-amino-3-pyridinyl)methyl]-5-hydroxy-2-methylbenzamide
CID 137338363
N-benzyl-2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]acetamide
CID 78808264
N-(2,5-dimethylphenyl)-2-[4-[[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78807710
6-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]pyridine-2-carboxylic acid
CID 122053743
2-[(5-fluoroquinolin-8-yl)methyl-methylamino]-1-morpholin-4-ylethanone
CID 60501294

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 56944985) is 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)CC(=O)N3CCOCC3)nc12.
What is the InChIKey of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is RXEKUDVAGQQQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N8O3/c1-18-5-4-6-19-15-20(16-30-26(36)23-24(27)29-8-7-28-23)25(31-22(18)19)33(3)10-9-32(2)17-21(35)34-11-13-37-14-12-34/h4-8,15H,9-14,16-17H2,1-3H3,(H2,27,29)(H,30,36).
What are the key properties of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 506.61 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56944985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).