N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

C24H30N6O4 — CID 175560156

IUPACN-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nc(C)c(=O)[nH]c2cc1CN1CCN(c2ccc(C(=O)NCCO)nc2C)CC1
InChIInChI=1S/C24H30N6O4/c1-15-21(5-4-18(26-15)24(33)25-6-11-31)30-9-7-29(8-10-30)14-17-12-19-20(13-22(17)34-3)27-16(2)23(32)28-19/h4-5,12-13,31H,6-11,14H2,1-3H3,(H,25,33)(H,28,32)
InChIKeyPWQNJMNBAAYPTM-UHFFFAOYSA-N
MW466.54 g/mol
LogP0.99
Rot. Bonds7

About N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide

N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (PubChem CID 175560156) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
PubChem CID175560156
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC NameN-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide
SMILESCOc1cc2nc(C)c(=O)[nH]c2cc1CN1CCN(c2ccc(C(=O)NCCO)nc2C)CC1
InChIInChI=1S/C24H30N6O4/c1-15-21(5-4-18(26-15)24(33)25-6-11-31)30-9-7-29(8-10-30)14-17-12-19-20(13-22(17)34-3)27-16(2)23(32)28-19/h4-5,12-13,31H,6-11,14H2,1-3H3,(H,25,33)(H,28,32)
InChIKeyPWQNJMNBAAYPTM-UHFFFAOYSA-N
XLogP0.99
TPSA123.68 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide (CID 175560156) is N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is COc1cc2nc(C)c(=O)[nH]c2cc1CN1CCN(c2ccc(C(=O)NCCO)nc2C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
The InChIKey is PWQNJMNBAAYPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-15-21(5-4-18(26-15)24(33)25-6-11-31)30-9-7-29(8-10-30)14-17-12-19-20(13-22(17)34-3)27-16(2)23(32)28-19/h4-5,12-13,31H,6-11,14H2,1-3H3,(H,25,33)(H,28,32).
What are the key properties of N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide?
N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-[4-[(7-methoxy-2-methyl-3-oxo-4H-quinoxalin-6-yl)methyl]piperazin-1-yl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 175560156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).