N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide

C26H25N3O4 — CID 10456088

IUPACN,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(COc2ccc(C(O)C(Cc3cccnc3)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O4/c1-17-13-20(22-6-2-3-7-24(22)28-17)16-33-21-10-8-19(9-11-21)25(30)23(26(31)29-32)14-18-5-4-12-27-15-18/h2-13,15,23,25,30,32H,14,16H2,1H3,(H,29,31)
InChIKeyFKMVRZQOEMFWFF-UHFFFAOYSA-N
MW443.50 g/mol
LogP3.91
Rot. Bonds8

About N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide

N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide (PubChem CID 10456088) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
PubChem CID10456088
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC NameN,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide
SMILESCc1cc(COc2ccc(C(O)C(Cc3cccnc3)C(=O)NO)cc2)c2ccccc2n1
InChIInChI=1S/C26H25N3O4/c1-17-13-20(22-6-2-3-7-24(22)28-17)16-33-21-10-8-19(9-11-21)25(30)23(26(31)29-32)14-18-5-4-12-27-15-18/h2-13,15,23,25,30,32H,14,16H2,1H3,(H,29,31)
InChIKeyFKMVRZQOEMFWFF-UHFFFAOYSA-N
XLogP3.91
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide?
The IUPAC name of N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide (CID 10456088) is N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide.
What is the SMILES notation for N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide?
The canonical SMILES for N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide is Cc1cc(COc2ccc(C(O)C(Cc3cccnc3)C(=O)NO)cc2)c2ccccc2n1.
What is the InChIKey of N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide?
The InChIKey is FKMVRZQOEMFWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O4/c1-17-13-20(22-6-2-3-7-24(22)28-17)16-33-21-10-8-19(9-11-21)25(30)23(26(31)29-32)14-18-5-4-12-27-15-18/h2-13,15,23,25,30,32H,14,16H2,1H3,(H,29,31).
What are the key properties of N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide?
N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide has a molecular weight of 443.50 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dihydroxy-3-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-2-(pyridin-3-ylmethyl)propanamide is sourced from PubChem (CID 10456088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).