N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide

C30H27N5O — CID 44515355

IUPACN-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc5ccccc45)c4nccnc34)cc2)CC1
InChIInChI=1S/C30H27N5O/c1-34-17-19-35(20-18-34)23-11-9-22(10-12-23)33-30(36)27-14-13-26(28-29(27)32-16-15-31-28)25-8-4-6-21-5-2-3-7-24(21)25/h2-16H,17-20H2,1H3,(H,33,36)
InChIKeyJAFYTYXWBXZWTP-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.45
Rot. Bonds4

About N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide

N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide (PubChem CID 44515355) has the molecular formula C30H27N5O and a molecular weight of 473.58 g/mol. Its IUPAC name is N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
PubChem CID44515355
Molecular FormulaC30H27N5O
Molecular Weight473.58 g/mol
Exact Mass473.22
IUPAC NameN-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc5ccccc45)c4nccnc34)cc2)CC1
InChIInChI=1S/C30H27N5O/c1-34-17-19-35(20-18-34)23-11-9-22(10-12-23)33-30(36)27-14-13-26(28-29(27)32-16-15-31-28)25-8-4-6-21-5-2-3-7-24(21)25/h2-16H,17-20H2,1H3,(H,33,36)
InChIKeyJAFYTYXWBXZWTP-UHFFFAOYSA-N
XLogP5.45
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(1H-imidazol-2-yl)-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 59292872
N-[4-(4-ethylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 7342466
N-(4-pyrrolidin-1-ylphenyl)quinoxaline-5-carboxamide
CID 110701458
8-isoquinolin-4-yl-N-[5-[(4-methylpiperazin-1-yl)methyl]-1H-imidazol-2-yl]quinoxaline-5-carboxamide
CID 44515976
(8-isoquinolin-4-ylquinoxalin-5-yl) N-[4-(4-ethylpiperazin-1-yl)phenyl]carbamate
CID 118322124
N-[4-(4-methylsulfonylpiperazin-1-yl)phenyl]naphthalene-1-carboxamide
CID 1048483
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(quinolin-8-ylamino)acetamide
CID 109010669
N-[4-(4-methylpiperazin-1-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 17444689
N-[5-(diethylaminomethyl)-2-pyridinyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide
CID 44515356
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 122357164
2-ethylsulfanyl-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 53285947
8-hydroxy-N-(4-morpholin-4-ylphenyl)quinoline-7-carboxamide
CID 53302491

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
The IUPAC name of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide (CID 44515355) is N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide.
What is the SMILES notation for N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
The canonical SMILES for N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide is CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc5ccccc45)c4nccnc34)cc2)CC1.
What is the InChIKey of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
The InChIKey is JAFYTYXWBXZWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O/c1-34-17-19-35(20-18-34)23-11-9-22(10-12-23)33-30(36)27-14-13-26(28-29(27)32-16-15-31-28)25-8-4-6-21-5-2-3-7-24(21)25/h2-16H,17-20H2,1H3,(H,33,36).
What are the key properties of N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide?
N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 5.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylpiperazin-1-yl)phenyl]-8-naphthalen-1-ylquinoxaline-5-carboxamide is sourced from PubChem (CID 44515355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).