N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide

C22H24N2O4 — CID 4182872

IUPACN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-13-9-17-11-16(22(26)24-18(17)10-14(13)2)7-8-23-21(25)15-5-6-19(27-3)20(12-15)28-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyPLIZQVWYOBTGSO-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide

N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 4182872) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID4182872
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC NameN-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC
InChIInChI=1S/C22H24N2O4/c1-13-9-17-11-16(22(26)24-18(17)10-14(13)2)7-8-23-21(25)15-5-6-19(27-3)20(12-15)28-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyPLIZQVWYOBTGSO-UHFFFAOYSA-N
XLogP3.13
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326114
4-chloro-N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326133
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 110326136
N-[2-(7-chloro-6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-fluorobenzamide
CID 110415543
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-3-carboxamide
CID 110326347
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4077939
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 3240947
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-methylbenzamide
CID 110326012
3,4-dimethoxy-N-[(3-methyl-2-oxo-1H-quinolin-6-yl)methyl]benzamide
CID 110666084
N-[2-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-fluorobenzamide
CID 110326115
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentanecarboxamide
CID 4091360
N-[2-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 110326009

Frequently Asked Questions

What is the IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide (CID 4182872) is N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1OC.
What is the InChIKey of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is PLIZQVWYOBTGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-13-9-17-11-16(22(26)24-18(17)10-14(13)2)7-8-23-21(25)15-5-6-19(27-3)20(12-15)28-4/h5-6,9-12H,7-8H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 380.44 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 4182872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).