N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide

C26H33N3O3 — CID 66681824

IUPACN,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide
SMILESC[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC(=O)N2c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C26H33N3O3/c1-19-7-5-14-28(19)15-6-16-32-23-11-12-24-20(18-23)10-13-25(30)29(24)22-9-4-8-21(17-22)26(31)27(2)3/h4,8-9,11-12,17-19H,5-7,10,13-16H2,1-3H3/t19-/m1/s1
InChIKeyCBFOKDJIWMNZSS-LJQANCHMSA-N
MW435.57 g/mol
LogP4.25
Rot. Bonds7

About N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide

N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide (PubChem CID 66681824) has the molecular formula C26H33N3O3 and a molecular weight of 435.57 g/mol. Its IUPAC name is N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide
PubChem CID66681824
Molecular FormulaC26H33N3O3
Molecular Weight435.57 g/mol
Exact Mass435.25
IUPAC NameN,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide
SMILESC[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC(=O)N2c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C26H33N3O3/c1-19-7-5-14-28(19)15-6-16-32-23-11-12-24-20(18-23)10-13-25(30)29(24)22-9-4-8-21(17-22)26(31)27(2)3/h4,8-9,11-12,17-19H,5-7,10,13-16H2,1-3H3/t19-/m1/s1
InChIKeyCBFOKDJIWMNZSS-LJQANCHMSA-N
XLogP4.25
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide?
The IUPAC name of N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide (CID 66681824) is N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide?
The canonical SMILES for N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide is C[C@@H]1CCCN1CCCOc1ccc2c(c1)CCC(=O)N2c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide?
The InChIKey is CBFOKDJIWMNZSS-LJQANCHMSA-N. The full InChI is InChI=1S/C26H33N3O3/c1-19-7-5-14-28(19)15-6-16-32-23-11-12-24-20(18-23)10-13-25(30)29(24)22-9-4-8-21(17-22)26(31)27(2)3/h4,8-9,11-12,17-19H,5-7,10,13-16H2,1-3H3/t19-/m1/s1.
What are the key properties of N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide?
N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide has a molecular weight of 435.57 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[6-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-2-oxo-3,4-dihydroquinolin-1-yl]benzamide is sourced from PubChem (CID 66681824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).