3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide

C22H17N3O2 — CID 69444328

IUPAC3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ncccc1OCc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-22(25-18-11-4-9-17-10-5-13-23-20(17)18)21-19(12-6-14-24-21)27-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,25,26)
InChIKeyRSVPFZVBZSBFRF-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.46
Rot. Bonds5

About 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide

3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide (PubChem CID 69444328) has the molecular formula C22H17N3O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
PubChem CID69444328
Molecular FormulaC22H17N3O2
Molecular Weight355.40 g/mol
Exact Mass355.13
IUPAC Name3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc2cccnc12)c1ncccc1OCc1ccccc1
InChIInChI=1S/C22H17N3O2/c26-22(25-18-11-4-9-17-10-5-13-23-20(17)18)21-19(12-6-14-24-21)27-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,25,26)
InChIKeyRSVPFZVBZSBFRF-UHFFFAOYSA-N
XLogP4.46
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-phenylmethoxyphenyl)-3-quinolin-8-ylurea
CID 108992618
4-phenylmethoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 3896580
2-(4-phenylmethoxyanilino)-N-quinolin-8-ylacetamide
CID 109010747
5-[(2-bromophenoxy)methyl]-N-quinolin-8-ylfuran-2-carboxamide
CID 35325335
N-(2-aminoacetyl)-3-phenylmethoxypyridine-2-carboxamide
CID 15295479
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide
CID 171504993
N-[4-(aminomethyl)-2-pyridinyl]-3-phenylmethoxypyridine-2-carboxamide;hydrochloride
CID 171504992
2-fluoro-N-(2-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 59783787
5-benzyl-N-quinolin-8-yl-1,3,4-oxadiazole-2-carboxamide
CID 110393337
3-amino-N-(2-phenylmethoxy-3-pyridinyl)pyrazine-2-carboxamide
CID 136525909
N-(4-phenylmethoxyphenyl)-3-(quinolin-8-ylamino)propanamide
CID 109042005
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762

Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide?
The IUPAC name of 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide (CID 69444328) is 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide.
What is the SMILES notation for 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide?
The canonical SMILES for 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide is O=C(Nc1cccc2cccnc12)c1ncccc1OCc1ccccc1.
What is the InChIKey of 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide?
The InChIKey is RSVPFZVBZSBFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2/c26-22(25-18-11-4-9-17-10-5-13-23-20(17)18)21-19(12-6-14-24-21)27-15-16-7-2-1-3-8-16/h1-14H,15H2,(H,25,26).
What are the key properties of 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide?
3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-N-quinolin-8-ylpyridine-2-carboxamide is sourced from PubChem (CID 69444328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).