N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide

C22H25N3O2 — CID 15987793

IUPACN-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3)ccc2n1
InChIInChI=1S/C22H25N3O2/c1-5-25(6-2)21-12-15(3)19-14-17(10-11-20(19)24-21)23-22(26)16-8-7-9-18(13-16)27-4/h7-14H,5-6H2,1-4H3,(H,23,26)
InChIKeyDRCASHPXYKKBNO-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.65
Rot. Bonds6

About N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide

N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide (PubChem CID 15987793) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
PubChem CID15987793
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide
SMILESCCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3)ccc2n1
InChIInChI=1S/C22H25N3O2/c1-5-25(6-2)21-12-15(3)19-14-17(10-11-20(19)24-21)23-22(26)16-8-7-9-18(13-16)27-4/h7-14H,5-6H2,1-4H3,(H,23,26)
InChIKeyDRCASHPXYKKBNO-UHFFFAOYSA-N
XLogP4.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide?
The IUPAC name of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide (CID 15987793) is N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide?
The canonical SMILES for N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide is CCN(CC)c1cc(C)c2cc(NC(=O)c3cccc(OC)c3)ccc2n1.
What is the InChIKey of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide?
The InChIKey is DRCASHPXYKKBNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-5-25(6-2)21-12-15(3)19-14-17(10-11-20(19)24-21)23-22(26)16-8-7-9-18(13-16)27-4/h7-14H,5-6H2,1-4H3,(H,23,26).
What are the key properties of N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide?
N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide has a molecular weight of 363.46 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-4-methylquinolin-6-yl]-3-methoxybenzamide is sourced from PubChem (CID 15987793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).