ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide

C24H29N3O2 — CID 22146630

IUPACethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCC.COc1c(N2CCCCC2)nc2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C22H23N3O2.C2H6/c1-27-20-19(22(26)23-16-10-4-2-5-11-16)17-12-6-7-13-18(17)24-21(20)25-14-8-3-9-15-25;1-2/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,23,26);1-2H3
InChIKeyVNBMQYDGHZLPKH-UHFFFAOYSA-N
MW391.52 g/mol
LogP5.51
Rot. Bonds4

About ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide

ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide (PubChem CID 22146630) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Nameethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
PubChem CID22146630
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Nameethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
SMILESCC.COc1c(N2CCCCC2)nc2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C22H23N3O2.C2H6/c1-27-20-19(22(26)23-16-10-4-2-5-11-16)17-12-6-7-13-18(17)24-21(20)25-14-8-3-9-15-25;1-2/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,23,26);1-2H3
InChIKeyVNBMQYDGHZLPKH-UHFFFAOYSA-N
XLogP5.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146631
ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
CID 22146675
2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
CID 22146664
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
ethane;N-(4-methoxyphenyl)-4-pyrrolidin-1-ylquinazolin-2-amine
CID 143177747
N-(4-methoxyphenyl)-4-piperidin-1-ylquinazolin-2-amine
CID 2095932
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
1-(3-methoxyquinoxalin-2-yl)-N-phenylpiperidine-3-carboxamide
CID 50752515
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
2-(4-methoxyphenyl)-3-piperidin-1-ylquinoline-4-carboxylic acid
CID 16643828
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
3-bromo-1,4-dimethoxy-N-phenylnaphthalene-2-carboxamide
CID 163283697

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide?
The IUPAC name of ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide (CID 22146630) is ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide is CC.COc1c(N2CCCCC2)nc2ccccc2c1C(=O)Nc1ccccc1.
What is the InChIKey of ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide?
The InChIKey is VNBMQYDGHZLPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2.C2H6/c1-27-20-19(22(26)23-16-10-4-2-5-11-16)17-12-6-7-13-18(17)24-21(20)25-14-8-3-9-15-25;1-2/h2,4-7,10-13H,3,8-9,14-15H2,1H3,(H,23,26);1-2H3.
What are the key properties of ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide?
ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 22146630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).