1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile

C36H32FN5O3 — CID 164830101

IUPAC1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc2nc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C36H32FN5O3/c37-28-10-9-25(22-38)26(19-28)23-45-29-11-12-32-30(20-29)31(34(43)41-15-5-2-6-16-41)21-33(40-32)35(44)42-17-13-36(24-39,14-18-42)27-7-3-1-4-8-27/h1,3-4,7-12,19-21H,2,5-6,13-18,23H2
InChIKeyAWPJBHFCRXYZAY-UHFFFAOYSA-N
MW601.68 g/mol
LogP6.15
Rot. Bonds6

About 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile

1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 164830101) has the molecular formula C36H32FN5O3 and a molecular weight of 601.68 g/mol. Its IUPAC name is 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID164830101
Molecular FormulaC36H32FN5O3
Molecular Weight601.68 g/mol
Exact Mass601.25
IUPAC Name1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#Cc1ccc(F)cc1COc1ccc2nc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc(C(=O)N3CCCCC3)c2c1
InChIInChI=1S/C36H32FN5O3/c37-28-10-9-25(22-38)26(19-28)23-45-29-11-12-32-30(20-29)31(34(43)41-15-5-2-6-16-41)21-33(40-32)35(44)42-17-13-36(24-39,14-18-42)27-7-3-1-4-8-27/h1,3-4,7-12,19-21H,2,5-6,13-18,23H2
InChIKeyAWPJBHFCRXYZAY-UHFFFAOYSA-N
XLogP6.15
TPSA110.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.68
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile with MolForge

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Related Compounds

(S)-1-(6-(1-isopropylpiperidin-4-yloxy)quinoline-2-carbonyl)pyrrolidine-2-carbonitrile
CID 11618099
(4-Methylpiperidin-1-yl)(6-(3-(piperidin-1-yl)propoxy)quinolin-2-yl)methanone
CID 11646905
(6-(1-Isopropylpiperidin-4-yloxy)quinolin-2-yl)(4-methoxypiperidin-1-yl)methanone
CID 11654491
(6S)-6-benzyl-1-[[3-(difluoromethoxy)phenyl]methyl]-4-(6-methoxyquinoline-2-carbonyl)piperazin-2-one
CID 122600799
4-[[2-(Piperazine-1-carbonyl)quinolin-6-yl]oxymethyl]benzonitrile
CID 168268956
4-[[2-(1-Piperazinylcarbonyl)-6-quinolinyl]oxy]benzonitrile
CID 118273418
4-[2-(4-Tert-butylpiperazine-1-carbonyl)quinolin-6-yl]oxybenzonitrile
CID 118273555
6-(4-cyanophenoxy)-N-(2-piperidin-1-ylethyl)quinoline-2-carboxamide
CID 118273686
6-(4-cyanophenoxy)-N-(3-piperidin-1-ylpropyl)quinoline-2-carboxamide
CID 118273925
(4-Benzylpiperidino)[2-(3-ethoxyphenyl)-4-quinolyl]methanone
CID 3322260
[4-[4-[3-[4-[[2-[(2S)-2-cyano-4,4-difluoropyrrolidin-1-yl]-2-oxoethyl]carbamoyl]quinolin-6-yl]oxypropyl]piperazine-1-carbonyl]phenyl](211At)astatine-211
CID 168278442
1-[6-[5-(Trifluoromethyl)pyridin-2-yl]oxyquinoline-2-carbonyl]piperidine-4-carbonitrile
CID 118273357

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile (CID 164830101) is 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile is N#Cc1ccc(F)cc1COc1ccc2nc(C(=O)N3CCC(C#N)(c4ccccc4)CC3)cc(C(=O)N3CCCCC3)c2c1.
What is the InChIKey of 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is AWPJBHFCRXYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32FN5O3/c37-28-10-9-25(22-38)26(19-28)23-45-29-11-12-32-30(20-29)31(34(43)41-15-5-2-6-16-41)21-33(40-32)35(44)42-17-13-36(24-39,14-18-42)27-7-3-1-4-8-27/h1,3-4,7-12,19-21H,2,5-6,13-18,23H2.
What are the key properties of 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile?
1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 601.68 g/mol, XLogP of 6.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-cyano-5-fluorophenyl)methoxy]-4-(piperidine-1-carbonyl)quinoline-2-carbonyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 164830101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).