7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile

C24H25N3O2 — CID 70291438

IUPAC7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile
SMILESCCc1cc2ccc(C(C)(N)Cc3cc(C#N)cc4c3OCC4)cc2nc1OC
InChIInChI=1S/C24H25N3O2/c1-4-16-11-17-5-6-20(12-21(17)27-23(16)28-3)24(2,26)13-19-10-15(14-25)9-18-7-8-29-22(18)19/h5-6,9-12H,4,7-8,13,26H2,1-3H3
InChIKeyINXYNJQWGUWNKY-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.03
Rot. Bonds5

About 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile

7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile (PubChem CID 70291438) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile.

Molecular Properties

Compound Name7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile
PubChem CID70291438
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile
SMILESCCc1cc2ccc(C(C)(N)Cc3cc(C#N)cc4c3OCC4)cc2nc1OC
InChIInChI=1S/C24H25N3O2/c1-4-16-11-17-5-6-20(12-21(17)27-23(16)28-3)24(2,26)13-19-10-15(14-25)9-18-7-8-29-22(18)19/h5-6,9-12H,4,7-8,13,26H2,1-3H3
InChIKeyINXYNJQWGUWNKY-UHFFFAOYSA-N
XLogP4.03
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile with MolForge

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Related Compounds

3-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393114
3-bromo-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393221
2-(3-ethyl-2-methoxyquinolin-7-yl)-3-(3-hydroxyphenyl)-2-methylpropanenitrile
CID 59392990
(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine
CID 70289156
3-(1,3-dioxoisoindol-2-yl)-2-(3-ethyl-2-methoxyquinolin-7-yl)-2-methylpropanenitrile
CID 59393229
2-(3-ethyl-2-methoxyquinolin-7-yl)acetonitrile;methane
CID 164511422
5-[2-cyano-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2-(3-morpholin-4-ylpropoxy)benzonitrile
CID 59393342
(5Z,7E)-2-(3-ethyl-2-methoxyquinolin-7-yl)-8-iodo-2-methyl-4-methylidenenona-5,7-dienenitrile
CID 145469826
(3-ethyl-2-methoxyquinolin-7-yl)-phenylmethanone
CID 59393104
2-(7-methyl-2,3-dihydro-1-benzofuran-5-yl)propan-2-amine
CID 117282534
2-(3-ethyl-6-fluoro-2-methoxyquinolin-7-yl)propanenitrile
CID 59393260
2-(2,3-dihydro-1-benzofuran-7-yl)-1-(4-methoxyphenyl)propan-2-amine
CID 114743879

Frequently Asked Questions

What is the IUPAC name of 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile?
The IUPAC name of 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile (CID 70291438) is 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile.
What is the SMILES notation for 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile?
The canonical SMILES for 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile is CCc1cc2ccc(C(C)(N)Cc3cc(C#N)cc4c3OCC4)cc2nc1OC.
What is the InChIKey of 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile?
The InChIKey is INXYNJQWGUWNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-4-16-11-17-5-6-20(12-21(17)27-23(16)28-3)24(2,26)13-19-10-15(14-25)9-18-7-8-29-22(18)19/h5-6,9-12H,4,7-8,13,26H2,1-3H3.
What are the key properties of 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile?
7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile has a molecular weight of 387.48 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-amino-2-(3-ethyl-2-methoxyquinolin-7-yl)propyl]-2,3-dihydro-1-benzofuran-5-carbonitrile is sourced from PubChem (CID 70291438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).