8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide

C29H28Cl2N6O3 — CID 89283710

IUPAC8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
SMILESC=C1CN(C)CCN1Cc1ccc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)nc1
InChIInChI=1S/C29H28Cl2N6O3/c1-17-15-36(2)11-12-37(17)16-18-5-8-23(34-14-18)35-29(38)20-7-6-19(27-28(20)33-10-9-32-27)24-25(30)21(39-3)13-22(40-4)26(24)31/h5-10,13-14H,1,11-12,15-16H2,2-4H3,(H,34,35,38)
InChIKeyHBQIUFAEZDBBAB-UHFFFAOYSA-N
MW579.49 g/mol
LogP5.53
Rot. Bonds7

About 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide

8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide (PubChem CID 89283710) has the molecular formula C29H28Cl2N6O3 and a molecular weight of 579.49 g/mol. Its IUPAC name is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide.

Molecular Properties

Compound Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
PubChem CID89283710
Molecular FormulaC29H28Cl2N6O3
Molecular Weight579.49 g/mol
Exact Mass578.16
IUPAC Name8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide
SMILESC=C1CN(C)CCN1Cc1ccc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)nc1
InChIInChI=1S/C29H28Cl2N6O3/c1-17-15-36(2)11-12-37(17)16-18-5-8-23(34-14-18)35-29(38)20-7-6-19(27-28(20)33-10-9-32-27)24-25(30)21(39-3)13-22(40-4)26(24)31/h5-10,13-14H,1,11-12,15-16H2,2-4H3,(H,34,35,38)
InChIKeyHBQIUFAEZDBBAB-UHFFFAOYSA-N
XLogP5.53
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.49
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide?
The IUPAC name of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide (CID 89283710) is 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide.
What is the SMILES notation for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide?
The canonical SMILES for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide is C=C1CN(C)CCN1Cc1ccc(NC(=O)c2ccc(-c3c(Cl)c(OC)cc(OC)c3Cl)c3nccnc23)nc1.
What is the InChIKey of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide?
The InChIKey is HBQIUFAEZDBBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28Cl2N6O3/c1-17-15-36(2)11-12-37(17)16-18-5-8-23(34-14-18)35-29(38)20-7-6-19(27-28(20)33-10-9-32-27)24-25(30)21(39-3)13-22(40-4)26(24)31/h5-10,13-14H,1,11-12,15-16H2,2-4H3,(H,34,35,38).
What are the key properties of 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide?
8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide has a molecular weight of 579.49 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3,5-dimethoxyphenyl)-N-[5-[(4-methyl-2-methylidenepiperazin-1-yl)methyl]-2-pyridinyl]quinoxaline-5-carboxamide is sourced from PubChem (CID 89283710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).