N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide

C28H27N3O2 — CID 118063587

IUPACN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)cc2)CC1
InChIInChI=1S/C28H27N3O2/c1-31-17-14-26(15-18-31)33-25-11-6-21(7-12-25)20-4-9-24(10-5-20)30-28(32)23-8-13-27-22(19-23)3-2-16-29-27/h2-13,16,19,26H,14-15,17-18H2,1H3,(H,30,32)
InChIKeyDUVAGPPJCTVCLZ-UHFFFAOYSA-N
MW437.54 g/mol
LogP5.63
Rot. Bonds5

About N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide

N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide (PubChem CID 118063587) has the molecular formula C28H27N3O2 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
PubChem CID118063587
Molecular FormulaC28H27N3O2
Molecular Weight437.54 g/mol
Exact Mass437.21
IUPAC NameN-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide
SMILESCN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)cc2)CC1
InChIInChI=1S/C28H27N3O2/c1-31-17-14-26(15-18-31)33-25-11-6-21(7-12-25)20-4-9-24(10-5-20)30-28(32)23-8-13-27-22(19-23)3-2-16-29-27/h2-13,16,19,26H,14-15,17-18H2,1H3,(H,30,32)
InChIKeyDUVAGPPJCTVCLZ-UHFFFAOYSA-N
XLogP5.63
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]quinoxaline-6-carboxamide
CID 131913221
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]-4-phenylbenzamide
CID 118063757
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]naphthalene-1-carboxamide
CID 118063788
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
[3-[2-hydroxy-5-[[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]carbamoyl]phenyl]phenyl] acetate
CID 118063387
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 131890028
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
N-pyridin-4-ylquinoline-6-carboxamide
CID 53313330
4-methoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-3-prop-2-enylbenzamide
CID 56700231
4-[dimethylsulfamoyl(methyl)amino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 53278475
4-(4-methylphenyl)-N-[2-(1-methylpiperidin-4-yl)oxy-3-pyrrolidin-1-ylquinoxalin-6-yl]benzamide
CID 169275101
2,6-dimethoxy-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 99970957

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide?
The IUPAC name of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide (CID 118063587) is N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide.
What is the SMILES notation for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide?
The canonical SMILES for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide is CN1CCC(Oc2ccc(-c3ccc(NC(=O)c4ccc5ncccc5c4)cc3)cc2)CC1.
What is the InChIKey of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide?
The InChIKey is DUVAGPPJCTVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O2/c1-31-17-14-26(15-18-31)33-25-11-6-21(7-12-25)20-4-9-24(10-5-20)30-28(32)23-8-13-27-22(19-23)3-2-16-29-27/h2-13,16,19,26H,14-15,17-18H2,1H3,(H,30,32).
What are the key properties of N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide?
N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 5.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(1-methylpiperidin-4-yl)oxyphenyl]phenyl]quinoline-6-carboxamide is sourced from PubChem (CID 118063587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).