(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C21H19N3O — CID 109197060

IUPAC(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Nc2ccccc2)cn1)N1CCCc2ccccc21
InChIInChI=1S/C21H19N3O/c25-21(24-14-6-8-16-7-4-5-11-20(16)24)19-13-12-18(15-22-19)23-17-9-2-1-3-10-17/h1-5,7,9-13,15,23H,6,8,14H2
InChIKeyVKMUCDRFDULUQY-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.42
Rot. Bonds3

About (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 109197060) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID109197060
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESO=C(c1ccc(Nc2ccccc2)cn1)N1CCCc2ccccc21
InChIInChI=1S/C21H19N3O/c25-21(24-14-6-8-16-7-4-5-11-20(16)24)19-13-12-18(15-22-19)23-17-9-2-1-3-10-17/h1-5,7,9-13,15,23H,6,8,14H2
InChIKeyVKMUCDRFDULUQY-UHFFFAOYSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-anilino-2-pyridinyl)-(2,3-dihydroindol-1-yl)methanone
CID 109197059
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
3,4-dihydro-2H-quinolin-1-yl-[5-(2-fluoroanilino)-2-pyridinyl]methanone
CID 109197873
[5-(cyclopropylamino)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109180125
2,3-dihydroindol-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109197759
2,3-dihydroindol-1-yl-[5-(methylamino)-2-pyridinyl]methanone
CID 104639992
2,3-dihydroindol-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642375
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
methyl 6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxylate
CID 31676778
3,4-dihydro-2H-quinolin-1-yl-[5-[3-(dimethylamino)propylamino]-2-pyridinyl]methanone
CID 109186156
3,4-dihydro-2H-quinolin-1-yl-[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]methanone
CID 109185837
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863

Frequently Asked Questions

What is the IUPAC name of (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 109197060) is (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(c1ccc(Nc2ccccc2)cn1)N1CCCc2ccccc21.
What is the InChIKey of (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is VKMUCDRFDULUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c25-21(24-14-6-8-16-7-4-5-11-20(16)24)19-13-12-18(15-22-19)23-17-9-2-1-3-10-17/h1-5,7,9-13,15,23H,6,8,14H2.
What are the key properties of (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 109197060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).