4-(ethylamino)-6-propoxyquinoline-3-carbonitrile

C15H17N3O — CID 55059974

IUPAC4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
SMILESCCCOc1ccc2ncc(C#N)c(NCC)c2c1
InChIInChI=1S/C15H17N3O/c1-3-7-19-12-5-6-14-13(8-12)15(17-4-2)11(9-16)10-18-14/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyUTDUKJGRKKHWOM-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.33
Rot. Bonds5

About 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile

4-(ethylamino)-6-propoxyquinoline-3-carbonitrile (PubChem CID 55059974) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
PubChem CID55059974
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(ethylamino)-6-propoxyquinoline-3-carbonitrile
SMILESCCCOc1ccc2ncc(C#N)c(NCC)c2c1
InChIInChI=1S/C15H17N3O/c1-3-7-19-12-5-6-14-13(8-12)15(17-4-2)11(9-16)10-18-14/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyUTDUKJGRKKHWOM-UHFFFAOYSA-N
XLogP3.33
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethoxy-4-[(4-fluorophenyl)methylamino]quinoline-3-carbonitrile
CID 50768558
4-anilino-6-ethoxyquinoline-3-carbonitrile;hydrochloride
CID 146055711
6-bromo-4-(propylamino)quinoline-3-carbonitrile
CID 62190068
4-(1,3-benzodioxol-5-ylmethylamino)-6-ethoxyquinoline-3-carbonitrile
CID 50768588
6-chloro-4-(ethylamino)-7-methoxyquinoline-3-carbonitrile
CID 107623067
6-(dimethylamino)-4-(propylamino)quinoline-3-carbonitrile
CID 62187998
6-methoxy-4-(1,3-thiazol-2-ylmethylamino)quinoline-3-carbonitrile
CID 91953514
4-(4-ethylanilino)-6-methoxyquinoline-3-carbonitrile
CID 50768454
6-(difluoromethoxy)-4-(2-pyrazol-1-ylethylamino)quinoline-3-carbonitrile
CID 133294101
4-(propylamino)quinoline-3-carbonitrile
CID 43668866
4-(3-chloro-4-fluoroanilino)-6-ethoxyquinoline-3-carbonitrile
CID 27655777
3-[[3-cyano-6-(difluoromethoxy)quinolin-4-yl]amino]-2-hydroxy-2-methylpropanoic acid
CID 122060998

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile?
The IUPAC name of 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile (CID 55059974) is 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile?
The canonical SMILES for 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile is CCCOc1ccc2ncc(C#N)c(NCC)c2c1.
What is the InChIKey of 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile?
The InChIKey is UTDUKJGRKKHWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-7-19-12-5-6-14-13(8-12)15(17-4-2)11(9-16)10-18-14/h5-6,8,10H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile?
4-(ethylamino)-6-propoxyquinoline-3-carbonitrile has a molecular weight of 255.32 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-6-propoxyquinoline-3-carbonitrile is sourced from PubChem (CID 55059974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).