N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide

C21H23N3O3 — CID 15988662

IUPACN-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
SMILESCN(C)/C=N/C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C21H23N3O3/c1-21(2)11-17-15(18(25)12-21)10-16(19(26)22-13-23(3)4)20(27)24(17)14-8-6-5-7-9-14/h5-10,13H,11-12H2,1-4H3/b22-13+
InChIKeyIPTLQJIWFHOBLF-LPYMAVHISA-N
MW365.43 g/mol
LogP2.72
Rot. Bonds3

About N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide

N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide (PubChem CID 15988662) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
PubChem CID15988662
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide
SMILESCN(C)/C=N/C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O
InChIInChI=1S/C21H23N3O3/c1-21(2)11-17-15(18(25)12-21)10-16(19(26)22-13-23(3)4)20(27)24(17)14-8-6-5-7-9-14/h5-10,13H,11-12H2,1-4H3/b22-13+
InChIKeyIPTLQJIWFHOBLF-LPYMAVHISA-N
XLogP2.72
TPSA71.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
The IUPAC name of N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide (CID 15988662) is N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide.
What is the SMILES notation for N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
The canonical SMILES for N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide is CN(C)/C=N/C(=O)c1cc2c(n(-c3ccccc3)c1=O)CC(C)(C)CC2=O.
What is the InChIKey of N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
The InChIKey is IPTLQJIWFHOBLF-LPYMAVHISA-N. The full InChI is InChI=1S/C21H23N3O3/c1-21(2)11-17-15(18(25)12-21)10-16(19(26)22-13-23(3)4)20(27)24(17)14-8-6-5-7-9-14/h5-10,13H,11-12H2,1-4H3/b22-13+.
What are the key properties of N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide?
N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dimethylaminomethylidene)-7,7-dimethyl-2,5-dioxo-1-phenyl-6,8-dihydroquinoline-3-carboxamide is sourced from PubChem (CID 15988662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).