2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide

C22H30N4O2 — CID 71027531

IUPAC2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(C3=CCCO3)cc(C(=O)NCCN(C)CCN(C)C)c2c1
InChIInChI=1S/C22H30N4O2/c1-16-7-8-19-17(14-16)18(15-20(24-19)21-6-5-13-28-21)22(27)23-9-10-26(4)12-11-25(2)3/h6-8,14-15H,5,9-13H2,1-4H3,(H,23,27)
InChIKeyWDVIEVIVLASHRU-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.53
Rot. Bonds8

About 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide

2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide (PubChem CID 71027531) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide
PubChem CID71027531
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide
SMILESCc1ccc2nc(C3=CCCO3)cc(C(=O)NCCN(C)CCN(C)C)c2c1
InChIInChI=1S/C22H30N4O2/c1-16-7-8-19-17(14-16)18(15-20(24-19)21-6-5-13-28-21)22(27)23-9-10-26(4)12-11-25(2)3/h6-8,14-15H,5,9-13H2,1-4H3,(H,23,27)
InChIKeyWDVIEVIVLASHRU-UHFFFAOYSA-N
XLogP2.53
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,3-dihydrofuran-5-yl)-6-methylquinolin-4-yl]-morpholin-4-ylmethanone
CID 71027528
2-(2,3-dihydrofuran-5-yl)-6-methyl-N-(3-morpholin-4-ylphenyl)quinoline-4-carboxamide
CID 70875056
6-chloro-N-[3-(dimethylamino)propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 162676927
N-[2-(dimethylamino)ethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 71572132
6-methyl-2-(5-methylthiophen-2-yl)-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 3485434
N-(2-methoxyethyl)-6-methyl-2-phenylquinoline-4-carboxamide
CID 4795719
N-(1,3-benzodioxol-5-ylmethyl)-2,6-dimethylquinoline-4-carboxamide
CID 18076214
2-(furan-2-yl)-6-methyl-N-(2-pyrrolidin-1-ylethyl)quinoline-4-carboxamide
CID 42749836
N-butyl-2-(2-chlorophenyl)-6-methylquinoline-4-carboxamide
CID 3625064
N-[2-(dimethylamino)ethyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 2333756
N-(3-aminopropyl)-2-cyclopropyl-6-methylquinoline-4-carboxamide;dihydrochloride
CID 119408408
2-(4-methoxyphenyl)-6-methyl-N-(3-morpholin-4-ylpropyl)quinoline-4-carboxamide
CID 42749976

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide?
The IUPAC name of 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide (CID 71027531) is 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide is Cc1ccc2nc(C3=CCCO3)cc(C(=O)NCCN(C)CCN(C)C)c2c1.
What is the InChIKey of 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide?
The InChIKey is WDVIEVIVLASHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-16-7-8-19-17(14-16)18(15-20(24-19)21-6-5-13-28-21)22(27)23-9-10-26(4)12-11-25(2)3/h6-8,14-15H,5,9-13H2,1-4H3,(H,23,27).
What are the key properties of 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide?
2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrofuran-5-yl)-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-6-methylquinoline-4-carboxamide is sourced from PubChem (CID 71027531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).