4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile

C18H17N3O2 — CID 133310755

IUPAC4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(NCC(O)c3ccco3)c2c1
InChIInChI=1S/C18H17N3O2/c1-11-6-12(2)17-14(7-11)18(13(8-19)9-20-17)21-10-15(22)16-4-3-5-23-16/h3-7,9,15,22H,10H2,1-2H3,(H,20,21)
InChIKeyNHQIOQYCMPBDQN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.46
Rot. Bonds4

About 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile

4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile (PubChem CID 133310755) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile
PubChem CID133310755
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile
SMILESCc1cc(C)c2ncc(C#N)c(NCC(O)c3ccco3)c2c1
InChIInChI=1S/C18H17N3O2/c1-11-6-12(2)17-14(7-11)18(13(8-19)9-20-17)21-10-15(22)16-4-3-5-23-16/h3-7,9,15,22H,10H2,1-2H3,(H,20,21)
InChIKeyNHQIOQYCMPBDQN-UHFFFAOYSA-N
XLogP3.46
TPSA82.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-4-[(2-hydroxy-2-phenylethyl)amino]-8-methylquinoline-3-carbonitrile
CID 166214969
4-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133351303
4-[(3-hydroxy-4-methoxybutyl)amino]-6,8-dimethylquinoline-3-carbonitrile
CID 133393174
3-[[(3-cyano-6,8-dimethylquinolin-4-yl)amino]methyl]benzamide
CID 133310236
6,8-dimethyl-4-(2-methylsulfonylethylamino)quinoline-3-carbonitrile
CID 71870914
6,8-dimethyl-4-[(4-nitrophenyl)methylamino]quinoline-3-carbonitrile
CID 133319647
6,8-dimethyl-4-(4-methylsulfanylbutylamino)quinoline-3-carbonitrile
CID 166216006
N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzenesulfonamide
CID 133316515
2-chloro-N-[2-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]ethyl]benzamide
CID 133316217
2-(3,5-dimethylanilino)-1-(furan-2-yl)ethanol
CID 55025105
N-[1-[(3-cyano-6,8-dimethylquinolin-4-yl)amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133321550
6,8-dimethyl-4-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylamino]quinoline-3-carbonitrile
CID 133321621

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile?
The IUPAC name of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile (CID 133310755) is 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile.
What is the SMILES notation for 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile?
The canonical SMILES for 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile is Cc1cc(C)c2ncc(C#N)c(NCC(O)c3ccco3)c2c1.
What is the InChIKey of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile?
The InChIKey is NHQIOQYCMPBDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-6-12(2)17-14(7-11)18(13(8-19)9-20-17)21-10-15(22)16-4-3-5-23-16/h3-7,9,15,22H,10H2,1-2H3,(H,20,21).
What are the key properties of 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile?
4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile has a molecular weight of 307.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-6,8-dimethylquinoline-3-carbonitrile is sourced from PubChem (CID 133310755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).