N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane — IUPAC name, SMILES, InChIKey & properties

Name: N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane

N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane (PubChem CID 159228716) has the molecular formula C80H82ClF2N17O9 and a molecular weight of 1499.09 g/mol. Its IUPAC name is N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane.

Molecular Properties

Compound Name	N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane
PubChem CID	159228716
Molecular Formula	C80H82ClF2N17O9
Molecular Weight	1499.09 g/mol
Exact Mass	1497.61
IUPAC Name	N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane
SMILES	C.CCCN(c1ccc2ncc(-c3cn[nH]c3)nc2c1)c1cc(OC)ccc1Cl.CCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChI	InChI=1S/C31H28N6O4.C27H30F2N6O4.C21H20ClN5O.CH4/c1-4-35-19-20(17-33-35)29-18-32-27-10-9-21(15-28(27)34-29)36(22-13-23(40-2)16-24(14-22)41-3)11-12-37-30(38)25-7-5-6-8-26(25)31(37)39;1-26(37,27(2,28)29)25(36)30-8-9-35(19-10-20(38-4)13-21(11-19)39-5)18-6-7-22-23(12-18)33-24(15-31-22)17-14-32-34(3)16-17;1-3-8-27(21-10-16(28-2)5-6-17(21)22)15-4-7-18-19(9-15)26-20(13-23-18)14-11-24-25-12-14;/h5-10,13-19H,4,11-12H2,1-3H3;6-7,10-16,37H,8-9H2,1-5H3,(H,30,36);4-7,9-13H,3,8H2,1-2H3,(H,24,25);1H4
InChIKey	KSPUUNYGNLPTLG-UHFFFAOYSA-N
XLogP	14.54
TPSA	284.24 Å²
H-Bond Donors	3
H-Bond Acceptors	23
Rotatable Bonds	25
Heavy Atoms	109
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1499.09
LogP ≤ 5	14.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane with MolForge

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

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane?

The IUPAC name of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane (CID 159228716) is N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane.

What is the SMILES notation for N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane?

The canonical SMILES for N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane is C.CCCN(c1ccc2ncc(-c3cn[nH]c3)nc2c1)c1cc(OC)ccc1Cl.CCn1cc(-c2cnc3ccc(N(CCN4C(=O)c5ccccc5C4=O)c4cc(OC)cc(OC)c4)cc3n2)cn1.COc1cc(OC)cc(N(CCNC(=O)C(C)(O)C(C)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.

What is the InChIKey of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane?

The InChIKey is KSPUUNYGNLPTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N6O4.C27H30F2N6O4.C21H20ClN5O.CH4/c1-4-35-19-20(17-33-35)29-18-32-27-10-9-21(15-28(27)34-29)36(22-13-23(40-2)16-24(14-22)41-3)11-12-37-30(38)25-7-5-6-8-26(25)31(37)39;1-26(37,27(2,28)29)25(36)30-8-9-35(19-10-20(38-4)13-21(11-19)39-5)18-6-7-22-23(12-18)33-24(15-31-22)17-14-32-34(3)16-17;1-3-8-27(21-10-16(28-2)5-6-17(21)22)15-4-7-18-19(9-15)26-20(13-23-18)14-11-24-25-12-14;/h5-10,13-19H,4,11-12H2,1-3H3;6-7,10-16,37H,8-9H2,1-5H3,(H,30,36);4-7,9-13H,3,8H2,1-2H3,(H,24,25);1H4.

What are the key properties of N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane?

Where does this data come from?

All data for N-(2-chloro-5-methoxyphenyl)-N-propyl-3-(1H-pyrazol-4-yl)quinoxalin-6-amine;N-[2-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)ethyl]-3,3-difluoro-2-hydroxy-2-methylbutanamide;2-[2-(N-[3-(1-ethylpyrazol-4-yl)quinoxalin-6-yl]-3,5-dimethoxyanilino)ethyl]isoindole-1,3-dione;methane is sourced from PubChem (CID 159228716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).