2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

C34H32N4O2 — CID 44533393

IUPAC2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
SMILESCC(=O)c1ccc(-c2cccc3c(CC(=O)Nc4ccc5nccc(N6CCN(C)CC6)c5c4)cccc23)cc1
InChIInChI=1S/C34H32N4O2/c1-23(39)24-9-11-25(12-10-24)28-6-4-7-29-26(5-3-8-30(28)29)21-34(40)36-27-13-14-32-31(22-27)33(15-16-35-32)38-19-17-37(2)18-20-38/h3-16,22H,17-21H2,1-2H3,(H,36,40)
InChIKeyHIDLPRJLYWYNFJ-UHFFFAOYSA-N
MW528.66 g/mol
LogP6.19
Rot. Bonds6

About 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide

2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide (PubChem CID 44533393) has the molecular formula C34H32N4O2 and a molecular weight of 528.66 g/mol. Its IUPAC name is 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide.

Molecular Properties

Compound Name2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
PubChem CID44533393
Molecular FormulaC34H32N4O2
Molecular Weight528.66 g/mol
Exact Mass528.25
IUPAC Name2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide
SMILESCC(=O)c1ccc(-c2cccc3c(CC(=O)Nc4ccc5nccc(N6CCN(C)CC6)c5c4)cccc23)cc1
InChIInChI=1S/C34H32N4O2/c1-23(39)24-9-11-25(12-10-24)28-6-4-7-29-26(5-3-8-30(28)29)21-34(40)36-27-13-14-32-31(22-27)33(15-16-35-32)38-19-17-37(2)18-20-38/h3-16,22H,17-21H2,1-2H3,(H,36,40)
InChIKeyHIDLPRJLYWYNFJ-UHFFFAOYSA-N
XLogP6.19
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.66
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The IUPAC name of 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide (CID 44533393) is 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide.
What is the SMILES notation for 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The canonical SMILES for 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide is CC(=O)c1ccc(-c2cccc3c(CC(=O)Nc4ccc5nccc(N6CCN(C)CC6)c5c4)cccc23)cc1.
What is the InChIKey of 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
The InChIKey is HIDLPRJLYWYNFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O2/c1-23(39)24-9-11-25(12-10-24)28-6-4-7-29-26(5-3-8-30(28)29)21-34(40)36-27-13-14-32-31(22-27)33(15-16-35-32)38-19-17-37(2)18-20-38/h3-16,22H,17-21H2,1-2H3,(H,36,40).
What are the key properties of 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide?
2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide has a molecular weight of 528.66 g/mol, XLogP of 6.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-acetylphenyl)naphthalen-1-yl]-N-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]acetamide is sourced from PubChem (CID 44533393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).