3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

C25H32N8O2 — CID 66800260

IUPAC3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)C(=O)[C@H]3CCCN3)nc12
InChIInChI=1S/C25H32N8O2/c1-16-6-4-7-17-14-18(15-30-24(34)21-22(26)29-11-10-28-21)23(31-20(16)17)32(2)12-13-33(3)25(35)19-8-5-9-27-19/h4,6-7,10-11,14,19,27H,5,8-9,12-13,15H2,1-3H3,(H2,26,29)(H,30,34)/t19-/m1/s1
InChIKeyFSSXODOHJIOQPA-LJQANCHMSA-N
MW476.59 g/mol
LogP1.49
Rot. Bonds8

About 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 66800260) has the molecular formula C25H32N8O2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID66800260
Molecular FormulaC25H32N8O2
Molecular Weight476.59 g/mol
Exact Mass476.26
IUPAC Name3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)C(=O)[C@H]3CCCN3)nc12
InChIInChI=1S/C25H32N8O2/c1-16-6-4-7-17-14-18(15-30-24(34)21-22(26)29-11-10-28-21)23(31-20(16)17)32(2)12-13-33(3)25(35)19-8-5-9-27-19/h4,6-7,10-11,14,19,27H,5,8-9,12-13,15H2,1-3H3,(H2,26,29)(H,30,34)/t19-/m1/s1
InChIKeyFSSXODOHJIOQPA-LJQANCHMSA-N
XLogP1.49
TPSA129.37 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide (CID 66800260) is 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]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-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is Cc1cccc2cc(CNC(=O)c3nccnc3N)c(N(C)CCN(C)C(=O)[C@H]3CCCN3)nc12.
What is the InChIKey of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is FSSXODOHJIOQPA-LJQANCHMSA-N. The full InChI is InChI=1S/C25H32N8O2/c1-16-6-4-7-17-14-18(15-30-24(34)21-22(26)29-11-10-28-21)23(31-20(16)17)32(2)12-13-33(3)25(35)19-8-5-9-27-19/h4,6-7,10-11,14,19,27H,5,8-9,12-13,15H2,1-3H3,(H2,26,29)(H,30,34)/t19-/m1/s1.
What are the key properties of 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 1.49, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[8-methyl-2-[methyl-[2-[methyl-[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]amino]quinolin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 66800260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).