3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide

C26H26N6O2 — CID 56944987

IUPAC3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H26N6O2/c27-25-24(28-9-10-29-25)26(33)30-16-23-21(15-20-3-1-2-4-22(20)31-23)19-7-5-18(6-8-19)17-32-11-13-34-14-12-32/h1-10,15H,11-14,16-17H2,(H2,27,29)(H,30,33)
InChIKeyPSMCUMAGMJBDLP-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.04
Rot. Bonds6

About 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide

3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide (PubChem CID 56944987) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide
PubChem CID56944987
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide
SMILESNc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C26H26N6O2/c27-25-24(28-9-10-29-25)26(33)30-16-23-21(15-20-3-1-2-4-22(20)31-23)19-7-5-18(6-8-19)17-32-11-13-34-14-12-32/h1-10,15H,11-14,16-17H2,(H2,27,29)(H,30,33)
InChIKeyPSMCUMAGMJBDLP-UHFFFAOYSA-N
XLogP3.04
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide (CID 56944987) is 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide is Nc1nccnc1C(=O)NCc1nc2ccccc2cc1-c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is PSMCUMAGMJBDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c27-25-24(28-9-10-29-25)26(33)30-16-23-21(15-20-3-1-2-4-22(20)31-23)19-7-5-18(6-8-19)17-32-11-13-34-14-12-32/h1-10,15H,11-14,16-17H2,(H2,27,29)(H,30,33).
What are the key properties of 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide?
3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 454.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-[4-(morpholin-4-ylmethyl)phenyl]quinolin-2-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 56944987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).