ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide

C25H31N3O2 — CID 70132088

IUPACethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
SMILESCC.O=C(Nc1ccccc1)c1cc(N2CCCCC2CCO)nc2ccccc12
InChIInChI=1S/C23H25N3O2.C2H6/c27-15-13-18-10-6-7-14-26(18)22-16-20(19-11-4-5-12-21(19)25-22)23(28)24-17-8-2-1-3-9-17;1-2/h1-5,8-9,11-12,16,18,27H,6-7,10,13-15H2,(H,24,28);1-2H3
InChIKeyDQIZOUNVYDGXTO-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.25
Rot. Bonds5

About ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide

ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide (PubChem CID 70132088) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Nameethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
PubChem CID70132088
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Nameethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide
SMILESCC.O=C(Nc1ccccc1)c1cc(N2CCCCC2CCO)nc2ccccc12
InChIInChI=1S/C23H25N3O2.C2H6/c27-15-13-18-10-6-7-14-26(18)22-16-20(19-11-4-5-12-21(19)25-22)23(28)24-17-8-2-1-3-9-17;1-2/h1-5,8-9,11-12,16,18,27H,6-7,10,13-15H2,(H,24,28);1-2H3
InChIKeyDQIZOUNVYDGXTO-UHFFFAOYSA-N
XLogP5.25
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682
2-(3-hydroxypyrrolidin-1-yl)-N-phenylquinoline-4-carboxamide
CID 22146674
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
6-[2-(hydroxymethyl)pyrrolidin-1-yl]-N-phenylpyridine-2-carboxamide
CID 117092889
N-(4-methylphenyl)-2-morpholin-4-ylquinoline-4-carboxamide
CID 659672
methyl 2-[4-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylquinolin-3-yl]acetate
CID 110434020
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
2-[2-(2-hydroxyethyl)piperidin-1-yl]benzoic acid
CID 62230001
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
[2-(2-methylpiperidin-1-yl)quinolin-4-yl]methanol
CID 61253176
6-chloro-2-[2-(2-hydroxyethyl)piperidin-1-yl]quinoline-4-carbonitrile
CID 133426490

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide?
The IUPAC name of ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide (CID 70132088) is ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide?
The canonical SMILES for ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide is CC.O=C(Nc1ccccc1)c1cc(N2CCCCC2CCO)nc2ccccc12.
What is the InChIKey of ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide?
The InChIKey is DQIZOUNVYDGXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C2H6/c27-15-13-18-10-6-7-14-26(18)22-16-20(19-11-4-5-12-21(19)25-22)23(28)24-17-8-2-1-3-9-17;1-2/h1-5,8-9,11-12,16,18,27H,6-7,10,13-15H2,(H,24,28);1-2H3.
What are the key properties of ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide?
ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 70132088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).