3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide

C27H27N3O3 — CID 56544237

IUPAC3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCc1cc(C(=O)NCCCOc2cccc3cccnc23)cc(C)c1OCc1cccnc1
InChIInChI=1S/C27H27N3O3/c1-19-15-23(16-20(2)26(19)33-18-21-7-4-11-28-17-21)27(31)30-13-6-14-32-24-10-3-8-22-9-5-12-29-25(22)24/h3-5,7-12,15-17H,6,13-14,18H2,1-2H3,(H,30,31)
InChIKeyDZKQDIMFJWUYDF-UHFFFAOYSA-N
MW441.53 g/mol
LogP5.02
Rot. Bonds9

About 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide

3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide (PubChem CID 56544237) has the molecular formula C27H27N3O3 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide.

Molecular Properties

Compound Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
PubChem CID56544237
Molecular FormulaC27H27N3O3
Molecular Weight441.53 g/mol
Exact Mass441.21
IUPAC Name3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide
SMILESCc1cc(C(=O)NCCCOc2cccc3cccnc23)cc(C)c1OCc1cccnc1
InChIInChI=1S/C27H27N3O3/c1-19-15-23(16-20(2)26(19)33-18-21-7-4-11-28-17-21)27(31)30-13-6-14-32-24-10-3-8-22-9-5-12-29-25(22)24/h3-5,7-12,15-17H,6,13-14,18H2,1-2H3,(H,30,31)
InChIKeyDZKQDIMFJWUYDF-UHFFFAOYSA-N
XLogP5.02
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.53
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-[3-(furan-2-ylmethoxy)propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55853611
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
3-ethoxy-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56534641
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
4-iodo-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535258
3-ethoxy-N-(2-naphthalen-1-yloxyethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 55863222
2-methyl-5-methylsulfanyl-N-(3-quinolin-8-yloxypropyl)benzamide
CID 56535021
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N-[[3-(cyanomethoxy)phenyl]methyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 86946683

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide?
The IUPAC name of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide (CID 56544237) is 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide.
What is the SMILES notation for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide?
The canonical SMILES for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide is Cc1cc(C(=O)NCCCOc2cccc3cccnc23)cc(C)c1OCc1cccnc1.
What is the InChIKey of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide?
The InChIKey is DZKQDIMFJWUYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3/c1-19-15-23(16-20(2)26(19)33-18-21-7-4-11-28-17-21)27(31)30-13-6-14-32-24-10-3-8-22-9-5-12-29-25(22)24/h3-5,7-12,15-17H,6,13-14,18H2,1-2H3,(H,30,31).
What are the key properties of 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide?
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide has a molecular weight of 441.53 g/mol, XLogP of 5.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-(3-quinolin-8-yloxypropyl)benzamide is sourced from PubChem (CID 56544237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).