N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide

C30H34N6O2 — CID 44512873

IUPACN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(C)cc(OC)c4C)c4nccnc34)nc2)CC1
InChIInChI=1S/C30H34N6O2/c1-5-35-12-14-36(15-13-35)19-22-6-9-27(33-18-22)34-30(37)24-8-7-23(28-29(24)32-11-10-31-28)25-16-20(2)17-26(38-4)21(25)3/h6-11,16-18H,5,12-15,19H2,1-4H3,(H,33,34,37)
InChIKeyKSTQBMSGBOVDHJ-UHFFFAOYSA-N
MW510.64 g/mol
LogP4.71
Rot. Bonds7

About N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide

N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide (PubChem CID 44512873) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide
PubChem CID44512873
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC NameN-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(C)cc(OC)c4C)c4nccnc34)nc2)CC1
InChIInChI=1S/C30H34N6O2/c1-5-35-12-14-36(15-13-35)19-22-6-9-27(33-18-22)34-30(37)24-8-7-23(28-29(24)32-11-10-31-28)25-16-20(2)17-26(38-4)21(25)3/h6-11,16-18H,5,12-15,19H2,1-4H3,(H,33,34,37)
InChIKeyKSTQBMSGBOVDHJ-UHFFFAOYSA-N
XLogP4.71
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide with MolForge

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Related Compounds

2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
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2-((6,7-dimethoxyquinolin-4-yl)methyl)-N-(pyridin-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 24960306
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methylquinolin-6-yl)-6-phenoxynicotinamide
CID 44407966
US8653087, III-593
CID 46181822
US8653087, III-2
CID 68035603
US8653087, III-149
CID 68035845
US8653087, III-301
CID 68036055
US8653087, III-562
CID 68036210
US8653087, III-435
CID 68036226
US8653087, III-599
CID 68036429
(2-(4-Methoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
CID 3245904

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide?
The IUPAC name of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide (CID 44512873) is N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide?
The canonical SMILES for N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide is CCN1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(C)cc(OC)c4C)c4nccnc34)nc2)CC1.
What is the InChIKey of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide?
The InChIKey is KSTQBMSGBOVDHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-5-35-12-14-36(15-13-35)19-22-6-9-27(33-18-22)34-30(37)24-8-7-23(28-29(24)32-11-10-31-28)25-16-20(2)17-26(38-4)21(25)3/h6-11,16-18H,5,12-15,19H2,1-4H3,(H,33,34,37).
What are the key properties of N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide?
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide has a molecular weight of 510.64 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-8-(3-methoxy-2,5-dimethylphenyl)quinoxaline-5-carboxamide is sourced from PubChem (CID 44512873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).