N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide

C22H22N2O3 — CID 156609597

IUPACN-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
SMILESO=C(NC1CCOCC1OCc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C22H22N2O3/c25-22(18-8-9-19-17(13-18)7-4-11-23-19)24-20-10-12-26-15-21(20)27-14-16-5-2-1-3-6-16/h1-9,11,13,20-21H,10,12,14-15H2,(H,24,25)
InChIKeyAMCFBACABXCJMT-UHFFFAOYSA-N
MW362.43 g/mol
LogP3.34
Rot. Bonds5

About N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide

N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide (PubChem CID 156609597) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide.

Molecular Properties

Compound NameN-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
PubChem CID156609597
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC NameN-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide
SMILESO=C(NC1CCOCC1OCc1ccccc1)c1ccc2ncccc2c1
InChIInChI=1S/C22H22N2O3/c25-22(18-8-9-19-17(13-18)7-4-11-23-19)24-20-10-12-26-15-21(20)27-14-16-5-2-1-3-6-16/h1-9,11,13,20-21H,10,12,14-15H2,(H,24,25)
InChIKeyAMCFBACABXCJMT-UHFFFAOYSA-N
XLogP3.34
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide?
The IUPAC name of N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide (CID 156609597) is N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide.
What is the SMILES notation for N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide?
The canonical SMILES for N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide is O=C(NC1CCOCC1OCc1ccccc1)c1ccc2ncccc2c1.
What is the InChIKey of N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide?
The InChIKey is AMCFBACABXCJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c25-22(18-8-9-19-17(13-18)7-4-11-23-19)24-20-10-12-26-15-21(20)27-14-16-5-2-1-3-6-16/h1-9,11,13,20-21H,10,12,14-15H2,(H,24,25).
What are the key properties of N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide?
N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxyoxan-4-yl)quinoline-6-carboxamide is sourced from PubChem (CID 156609597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).