3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone

C18H21N3O — CID 109179730

IUPAC3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1ccc(C(=O)N2CCCc3ccccc32)nc1
InChIInChI=1S/C18H21N3O/c1-13(2)20-15-9-10-16(19-12-15)18(22)21-11-5-7-14-6-3-4-8-17(14)21/h3-4,6,8-10,12-13,20H,5,7,11H2,1-2H3
InChIKeyIQUTWCGXOPSTAG-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.49
Rot. Bonds3

About 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone

3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone (PubChem CID 109179730) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
PubChem CID109179730
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
SMILESCC(C)Nc1ccc(C(=O)N2CCCc3ccccc32)nc1
InChIInChI=1S/C18H21N3O/c1-13(2)20-15-9-10-16(19-12-15)18(22)21-11-5-7-14-6-3-4-8-17(14)21/h3-4,6,8-10,12-13,20H,5,7,11H2,1-2H3
InChIKeyIQUTWCGXOPSTAG-UHFFFAOYSA-N
XLogP3.49
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone with MolForge

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Related Compounds

(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
2,3-dihydroindol-1-yl-[4-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109201577
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
2,3-dihydroindol-1-yl-[5-(2-propan-2-ylanilino)-2-pyridinyl]methanone
CID 109197743
3,4-dihydro-2H-quinolin-1-yl-[5-[2-(2-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109192557
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone (CID 109179730) is 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone is CC(C)Nc1ccc(C(=O)N2CCCc3ccccc32)nc1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
The InChIKey is IQUTWCGXOPSTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13(2)20-15-9-10-16(19-12-15)18(22)21-11-5-7-14-6-3-4-8-17(14)21/h3-4,6,8-10,12-13,20H,5,7,11H2,1-2H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone has a molecular weight of 295.39 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 109179730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).