5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide

C43H46N10O4 — CID 146221300

IUPAC5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(OCCC3CCN(c4ccc5cc(OCCC6CCNCC6)cc(NC(=O)c6ncccn6)c5n4)CC3)cc3cccnc23)cn1
InChIInChI=1S/C43H46N10O4/c1-28-26-49-37(27-48-28)42(54)50-35-24-33(22-31-4-2-13-45-39(31)35)57-21-12-30-9-18-53(19-10-30)38-6-5-32-23-34(56-20-11-29-7-16-44-17-8-29)25-36(40(32)52-38)51-43(55)41-46-14-3-15-47-41/h2-6,13-15,22-27,29-30,44H,7-12,16-21H2,1H3,(H,50,54)(H,51,55)
InChIKeyRKABGXOHQBNZDE-UHFFFAOYSA-N
MW766.91 g/mol
LogP6.63
Rot. Bonds13

About 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide

5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide (PubChem CID 146221300) has the molecular formula C43H46N10O4 and a molecular weight of 766.91 g/mol. Its IUPAC name is 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide
PubChem CID146221300
Molecular FormulaC43H46N10O4
Molecular Weight766.91 g/mol
Exact Mass766.37
IUPAC Name5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2cc(OCCC3CCN(c4ccc5cc(OCCC6CCNCC6)cc(NC(=O)c6ncccn6)c5n4)CC3)cc3cccnc23)cn1
InChIInChI=1S/C43H46N10O4/c1-28-26-49-37(27-48-28)42(54)50-35-24-33(22-31-4-2-13-45-39(31)35)57-21-12-30-9-18-53(19-10-30)38-6-5-32-23-34(56-20-11-29-7-16-44-17-8-29)25-36(40(32)52-38)51-43(55)41-46-14-3-15-47-41/h2-6,13-15,22-27,29-30,44H,7-12,16-21H2,1H3,(H,50,54)(H,51,55)
InChIKeyRKABGXOHQBNZDE-UHFFFAOYSA-N
XLogP6.63
TPSA169.27 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500766.91
LogP ≤ 56.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide (CID 146221300) is 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide is Cc1cnc(C(=O)Nc2cc(OCCC3CCN(c4ccc5cc(OCCC6CCNCC6)cc(NC(=O)c6ncccn6)c5n4)CC3)cc3cccnc23)cn1.
What is the InChIKey of 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide?
The InChIKey is RKABGXOHQBNZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46N10O4/c1-28-26-49-37(27-48-28)42(54)50-35-24-33(22-31-4-2-13-45-39(31)35)57-21-12-30-9-18-53(19-10-30)38-6-5-32-23-34(56-20-11-29-7-16-44-17-8-29)25-36(40(32)52-38)51-43(55)41-46-14-3-15-47-41/h2-6,13-15,22-27,29-30,44H,7-12,16-21H2,1H3,(H,50,54)(H,51,55).
What are the key properties of 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide?
5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide has a molecular weight of 766.91 g/mol, XLogP of 6.63, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-[2-[1-[6-(2-piperidin-4-ylethoxy)-8-(pyrimidine-2-carbonylamino)quinolin-2-yl]piperidin-4-yl]ethoxy]quinolin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 146221300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).