N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

C21H24N2O4 — CID 56738107

IUPACN-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C21H24N2O4/c1-21(2)11-17-15(18(24)12-21)10-16(20(26)23-17)19(25)22-9-8-13-4-6-14(27-3)7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyPQEUECTUCGLHGJ-UHFFFAOYSA-N
MW368.43 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (PubChem CID 56738107) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
PubChem CID56738107
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1
InChIInChI=1S/C21H24N2O4/c1-21(2)11-17-15(18(24)12-21)10-16(20(26)23-17)19(25)22-9-8-13-4-6-14(27-3)7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H,22,25)(H,23,26)
InChIKeyPQEUECTUCGLHGJ-UHFFFAOYSA-N
XLogP2.51
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide (CID 56738107) is N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is COc1ccc(CCNC(=O)c2cc3c([nH]c2=O)CC(C)(C)CC3=O)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
The InChIKey is PQEUECTUCGLHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-21(2)11-17-15(18(24)12-21)10-16(20(26)23-17)19(25)22-9-8-13-4-6-14(27-3)7-5-13/h4-7,10H,8-9,11-12H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide has a molecular weight of 368.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-3-carboxamide is sourced from PubChem (CID 56738107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).