N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid

C52H45N11O3 — CID 68608168

IUPACN-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid
SMILESCN1CCN(Cc2ccc(N)nc2)CC1.O=C(Nc1ncc[nH]1)c1ccc(-c2cccc3ccccc23)c2nccnc12.O=C(O)c1ccc(-c2cccc3ccccc23)c2nccnc12
InChIInChI=1S/C22H15N5O.C19H12N2O2.C11H18N4/c28-21(27-22-25-12-13-26-22)18-9-8-17(19-20(18)24-11-10-23-19)16-7-3-5-14-4-1-2-6-15(14)16;22-19(23)16-9-8-15(17-18(16)21-11-10-20-17)14-7-3-5-12-4-1-2-6-13(12)14;1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10/h1-13H,(H2,25,26,27,28);1-11H,(H,22,23);2-3,8H,4-7,9H2,1H3,(H2,12,13)
InChIKeyCOLYMKVWKLVSRF-UHFFFAOYSA-N
MW872.01 g/mol
LogP8.98
Rot. Bonds7

About N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid

N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid (PubChem CID 68608168) has the molecular formula C52H45N11O3 and a molecular weight of 872.01 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid
PubChem CID68608168
Molecular FormulaC52H45N11O3
Molecular Weight872.01 g/mol
Exact Mass871.37
IUPAC NameN-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid
SMILESCN1CCN(Cc2ccc(N)nc2)CC1.O=C(Nc1ncc[nH]1)c1ccc(-c2cccc3ccccc23)c2nccnc12.O=C(O)c1ccc(-c2cccc3ccccc23)c2nccnc12
InChIInChI=1S/C22H15N5O.C19H12N2O2.C11H18N4/c28-21(27-22-25-12-13-26-22)18-9-8-17(19-20(18)24-11-10-23-19)16-7-3-5-14-4-1-2-6-15(14)16;22-19(23)16-9-8-15(17-18(16)21-11-10-20-17)14-7-3-5-12-4-1-2-6-13(12)14;1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10/h1-13H,(H2,25,26,27,28);1-11H,(H,22,23);2-3,8H,4-7,9H2,1H3,(H2,12,13)
InChIKeyCOLYMKVWKLVSRF-UHFFFAOYSA-N
XLogP8.98
TPSA192.03 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500872.01
LogP ≤ 58.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid?
The IUPAC name of N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid (CID 68608168) is N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid.
What is the SMILES notation for N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid?
The canonical SMILES for N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid is CN1CCN(Cc2ccc(N)nc2)CC1.O=C(Nc1ncc[nH]1)c1ccc(-c2cccc3ccccc23)c2nccnc12.O=C(O)c1ccc(-c2cccc3ccccc23)c2nccnc12.
What is the InChIKey of N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid?
The InChIKey is COLYMKVWKLVSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O.C19H12N2O2.C11H18N4/c28-21(27-22-25-12-13-26-22)18-9-8-17(19-20(18)24-11-10-23-19)16-7-3-5-14-4-1-2-6-15(14)16;22-19(23)16-9-8-15(17-18(16)21-11-10-20-17)14-7-3-5-12-4-1-2-6-13(12)14;1-14-4-6-15(7-5-14)9-10-2-3-11(12)13-8-10/h1-13H,(H2,25,26,27,28);1-11H,(H,22,23);2-3,8H,4-7,9H2,1H3,(H2,12,13).
What are the key properties of N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid?
N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid has a molecular weight of 872.01 g/mol, XLogP of 8.98, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide;5-[(4-methylpiperazin-1-yl)methyl]pyridin-2-amine;8-naphthalen-1-ylquinoxaline-5-carboxylic acid is sourced from PubChem (CID 68608168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).