N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

C27H25N7O2 — CID 67467323

IUPACN-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC#Cc2nccn2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C27H25N7O2/c1-32-11-9-28-27(32)6-5-10-34(21-12-22(35-3)15-23(13-21)36-4)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(2)18-19/h7-9,11-18H,10H2,1-4H3
InChIKeyRJRMUDQJNFDZEC-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.97
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine

N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 67467323) has the molecular formula C27H25N7O2 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
PubChem CID67467323
Molecular FormulaC27H25N7O2
Molecular Weight479.54 g/mol
Exact Mass479.21
IUPAC NameN-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
SMILESCOc1cc(OC)cc(N(CC#Cc2nccn2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C27H25N7O2/c1-32-11-9-28-27(32)6-5-10-34(21-12-22(35-3)15-23(13-21)36-4)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(2)18-19/h7-9,11-18H,10H2,1-4H3
InChIKeyRJRMUDQJNFDZEC-UHFFFAOYSA-N
XLogP3.97
TPSA83.12 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine 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 N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 67467323) is N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC#Cc2nccn2C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is RJRMUDQJNFDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N7O2/c1-32-11-9-28-27(32)6-5-10-34(21-12-22(35-3)15-23(13-21)36-4)20-7-8-24-25(14-20)31-26(17-29-24)19-16-30-33(2)18-19/h7-9,11-18H,10H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 479.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N-[3-(1-methylimidazol-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 67467323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).