2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile

C22H18N4O — CID 109176532

IUPAC2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(C(=O)N2CCCc3ccccc32)ccn1
InChIInChI=1S/C22H18N4O/c23-15-18-7-1-3-9-19(18)25-21-14-17(11-12-24-21)22(27)26-13-5-8-16-6-2-4-10-20(16)26/h1-4,6-7,9-12,14H,5,8,13H2,(H,24,25)
InChIKeyVWWJSTRVPLMHOE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.29
Rot. Bonds3

About 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile

2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile (PubChem CID 109176532) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile.

Molecular Properties

Compound Name2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
PubChem CID109176532
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile
SMILESN#Cc1ccccc1Nc1cc(C(=O)N2CCCc3ccccc32)ccn1
InChIInChI=1S/C22H18N4O/c23-15-18-7-1-3-9-19(18)25-21-14-17(11-12-24-21)22(27)26-13-5-8-16-6-2-4-10-20(16)26/h1-4,6-7,9-12,14H,5,8,13H2,(H,24,25)
InChIKeyVWWJSTRVPLMHOE-UHFFFAOYSA-N
XLogP4.29
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]amino]benzonitrile
CID 109219683
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2,3-dihydroindol-1-yl-[2-[3-(trifluoromethyl)anilino]-4-pyridinyl]methanone
CID 109176438
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-methylphenyl)methylamino]-4-pyridinyl]methanone
CID 109170004
N-(2-cyanophenyl)-2,3-dihydroindole-1-carboxamide
CID 108991226
3,4-dihydro-2H-quinolin-1-yl-[2-[(1,1-dioxothiolan-3-yl)amino]-4-pyridinyl]methanone
CID 109173335
2-[[4-(2,3-dihydroindole-1-carbonyl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 109335514
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-nitrobenzonitrile
CID 23119875
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109084967
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
2-(2-cyanoanilino)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109168019

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
The IUPAC name of 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile (CID 109176532) is 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile.
What is the SMILES notation for 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
The canonical SMILES for 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile is N#Cc1ccccc1Nc1cc(C(=O)N2CCCc3ccccc32)ccn1.
What is the InChIKey of 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
The InChIKey is VWWJSTRVPLMHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c23-15-18-7-1-3-9-19(18)25-21-14-17(11-12-24-21)22(27)26-13-5-8-16-6-2-4-10-20(16)26/h1-4,6-7,9-12,14H,5,8,13H2,(H,24,25).
What are the key properties of 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile?
2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile has a molecular weight of 354.41 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]amino]benzonitrile is sourced from PubChem (CID 109176532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).