ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide

C24H23N3O2 — CID 144516381

IUPACethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
SMILESCC.NC(=O)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12
InChIInChI=1S/C22H17N3O2.C2H6/c23-22(26)18-9-5-11-25-20(18)14-27-21-13-16(15-6-2-1-3-7-15)12-19-17(21)8-4-10-24-19;1-2/h1-13H,14H2,(H2,23,26);1-2H3
InChIKeyZNUSOHNSRPJFMX-UHFFFAOYSA-N
MW385.47 g/mol
LogP5.00
Rot. Bonds5

About ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide

ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide (PubChem CID 144516381) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Nameethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
PubChem CID144516381
Molecular FormulaC24H23N3O2
Molecular Weight385.47 g/mol
Exact Mass385.18
IUPAC Nameethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
SMILESCC.NC(=O)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12
InChIInChI=1S/C22H17N3O2.C2H6/c23-22(26)18-9-5-11-25-20(18)14-27-21-13-16(15-6-2-1-3-7-15)12-19-17(21)8-4-10-24-19;1-2/h1-13H,14H2,(H2,23,26);1-2H3
InChIKeyZNUSOHNSRPJFMX-UHFFFAOYSA-N
XLogP5.00
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.47
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide
CID 71242073
2-[[7-[4-(4-methylpiperazine-1-carbonyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71242081
2-[[7-[4-(1-aminocyclopropyl)-3-chlorophenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241934
2-[[7-[3-(aminomethyl)-4-methanimidoylphenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 144516316
4-[5-[(2-carbamoylphenyl)methoxy]quinolin-7-yl]benzenesulfinic acid
CID 71244060
4-[5-[(2-carbamoylphenyl)methoxy]quinolin-7-yl]benzenesulfinate
CID 71244059
2-[[7-(6-acetamido-3-pyridinyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3,4-dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;5,5-dimethyl-1-[[7-(3,4,5-trimethoxyphenyl)quinolin-5-yl]oxymethyl]imidazolidine-2,4-dione;2-[[7-[4-(methyl-methylidene-oxo-λ6-sulfanyl)phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 159501401
7-methylquinoline-5-carboxamide
CID 175838223
2-benzylpyridine-3-carboxamide;dihydrochloride
CID 141007334
2-[(4-phenylphenyl)methoxy]benzamide
CID 8011325
2-[(3,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 66964231
(3-carbamoyl-2-pyridinyl)methyl [2,6-di(propan-2-yl)phenyl] carbonate
CID 90093480

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide?
The IUPAC name of ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide (CID 144516381) is ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide is CC.NC(=O)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12.
What is the InChIKey of ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide?
The InChIKey is ZNUSOHNSRPJFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C2H6/c23-22(26)18-9-5-11-25-20(18)14-27-21-13-16(15-6-2-1-3-7-15)12-19-17(21)8-4-10-24-19;1-2/h1-13H,14H2,(H2,23,26);1-2H3.
What are the key properties of ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide?
ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide has a molecular weight of 385.47 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(7-phenylquinolin-5-yl)oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 144516381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).