N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide

C24H27N7O2 — CID 167500735

IUPACN-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccc4nc(N(C)C)oc4c3)c3nccnc23)CC(C)N1
InChIInChI=1S/C24H27N7O2/c1-14-12-31(13-15(2)27-14)19-8-6-17(21-22(19)26-10-9-25-21)23(32)28-16-5-7-18-20(11-16)33-24(29-18)30(3)4/h5-11,14-15,27H,12-13H2,1-4H3,(H,28,32)
InChIKeyPLNRYYBMUWAXAF-UHFFFAOYSA-N
MW445.53 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide

N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide (PubChem CID 167500735) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide
PubChem CID167500735
Molecular FormulaC24H27N7O2
Molecular Weight445.53 g/mol
Exact Mass445.22
IUPAC NameN-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide
SMILESCC1CN(c2ccc(C(=O)Nc3ccc4nc(N(C)C)oc4c3)c3nccnc23)CC(C)N1
InChIInChI=1S/C24H27N7O2/c1-14-12-31(13-15(2)27-14)19-8-6-17(21-22(19)26-10-9-25-21)23(32)28-16-5-7-18-20(11-16)33-24(29-18)30(3)4/h5-11,14-15,27H,12-13H2,1-4H3,(H,28,32)
InChIKeyPLNRYYBMUWAXAF-UHFFFAOYSA-N
XLogP3.28
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide (CID 167500735) is N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide is CC1CN(c2ccc(C(=O)Nc3ccc4nc(N(C)C)oc4c3)c3nccnc23)CC(C)N1.
What is the InChIKey of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide?
The InChIKey is PLNRYYBMUWAXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-14-12-31(13-15(2)27-14)19-8-6-17(21-22(19)26-10-9-25-21)23(32)28-16-5-7-18-20(11-16)33-24(29-18)30(3)4/h5-11,14-15,27H,12-13H2,1-4H3,(H,28,32).
What are the key properties of N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide?
N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide has a molecular weight of 445.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide is sourced from PubChem (CID 167500735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).