N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

C21H25N3O3 — CID 74244678

IUPACN-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCN(Cc1ccncc1)C(=O)C1CC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C21H25N3O3/c1-3-4-11-24(14-15-7-9-22-10-8-15)21(26)18-13-20(25)23-19-6-5-16(27-2)12-17(18)19/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyCMOYYXJEZFLTQT-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.34
Rot. Bonds7

About N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide

N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 74244678) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID74244678
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCCCCN(Cc1ccncc1)C(=O)C1CC(=O)Nc2ccc(OC)cc21
InChIInChI=1S/C21H25N3O3/c1-3-4-11-24(14-15-7-9-22-10-8-15)21(26)18-13-20(25)23-19-6-5-16(27-2)12-17(18)19/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25)
InChIKeyCMOYYXJEZFLTQT-UHFFFAOYSA-N
XLogP3.34
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide (CID 74244678) is N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is CCCCN(Cc1ccncc1)C(=O)C1CC(=O)Nc2ccc(OC)cc21.
What is the InChIKey of N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is CMOYYXJEZFLTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-4-11-24(14-15-7-9-22-10-8-15)21(26)18-13-20(25)23-19-6-5-16(27-2)12-17(18)19/h5-10,12,18H,3-4,11,13-14H2,1-2H3,(H,23,25).
What are the key properties of N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide?
N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-6-methoxy-2-oxo-N-(pyridin-4-ylmethyl)-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 74244678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).