N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide

C20H21N3O3 — CID 664796

IUPACN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1
InChIInChI=1S/C20H21N3O3/c1-3-10-23(20(25)14-6-8-21-9-7-14)13-16-11-15-12-17(26-2)4-5-18(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
InChIKeyVEGVBOYYMJOBQZ-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.98
Rot. Bonds6

About N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide

N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide (PubChem CID 664796) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
PubChem CID664796
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
SMILESCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1
InChIInChI=1S/C20H21N3O3/c1-3-10-23(20(25)14-6-8-21-9-7-14)13-16-11-15-12-17(26-2)4-5-18(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
InChIKeyVEGVBOYYMJOBQZ-UHFFFAOYSA-N
XLogP2.98
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide?
The IUPAC name of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide (CID 664796) is N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide?
The canonical SMILES for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide is CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1.
What is the InChIKey of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide?
The InChIKey is VEGVBOYYMJOBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-3-10-23(20(25)14-6-8-21-9-7-14)13-16-11-15-12-17(26-2)4-5-18(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide?
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide is sourced from PubChem (CID 664796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).