2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

C30H25N3O2 — CID 54575104

IUPAC2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
SMILESO=C(Cc1ccccc1)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C30H25N3O2/c34-30(19-23-7-2-1-3-8-23)33(21-24-9-6-18-31-20-24)27-14-16-28(17-15-27)35-22-26-13-12-25-10-4-5-11-29(25)32-26/h1-18,20H,19,21-22H2
InChIKeyFKHNOMTVLMUCLF-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.98
Rot. Bonds8

About 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide

2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (PubChem CID 54575104) has the molecular formula C30H25N3O2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
PubChem CID54575104
Molecular FormulaC30H25N3O2
Molecular Weight459.55 g/mol
Exact Mass459.19
IUPAC Name2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
SMILESO=C(Cc1ccccc1)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C30H25N3O2/c34-30(19-23-7-2-1-3-8-23)33(21-24-9-6-18-31-20-24)27-14-16-28(17-15-27)35-22-26-13-12-25-10-4-5-11-29(25)32-26/h1-18,20H,19,21-22H2
InChIKeyFKHNOMTVLMUCLF-UHFFFAOYSA-N
XLogP5.98
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butanedioic acid;2-(2,4-difluorophenyl)-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide
CID 67453557
N-(4-methoxyphenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 110360620
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-(4-fluorophenyl)-2-phenoxy-N-(pyridin-3-ylmethyl)acetamide
CID 13304879
cyclopropyl 2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 123636048
methyl 4-[4-[methyl-[2-[4-(quinolin-2-ylmethoxy)phenyl]acetyl]amino]phenyl]butanoate
CID 67760741
phenyl N-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)carbamate
CID 110360643
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
1,5-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-3-one
CID 10792807
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-[[4-(2-pyridin-4-ylethynyl)phenoxy]methyl]quinoline
CID 59797507

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide (CID 54575104) is 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is O=C(Cc1ccccc1)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
The InChIKey is FKHNOMTVLMUCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O2/c34-30(19-23-7-2-1-3-8-23)33(21-24-9-6-18-31-20-24)27-14-16-28(17-15-27)35-22-26-13-12-25-10-4-5-11-29(25)32-26/h1-18,20H,19,21-22H2.
What are the key properties of 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide?
2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide has a molecular weight of 459.55 g/mol, XLogP of 5.98, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyridin-3-ylmethyl)-N-[4-(quinolin-2-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 54575104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).