(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone

C27H21Cl2N3O2 — CID 55955997

IUPAC(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C27H21Cl2N3O2/c28-22-6-5-19(15-23(22)29)26(33)18-9-13-32(14-10-18)27(34)21-16-25(17-7-11-30-12-8-17)31-24-4-2-1-3-20(21)24/h1-8,11-12,15-16,18H,9-10,13-14H2
InChIKeyUTVUZOVVBHAJEW-UHFFFAOYSA-N
MW490.39 g/mol
LogP6.34
Rot. Bonds4

About (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone

(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone (PubChem CID 55955997) has the molecular formula C27H21Cl2N3O2 and a molecular weight of 490.39 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
PubChem CID55955997
Molecular FormulaC27H21Cl2N3O2
Molecular Weight490.39 g/mol
Exact Mass489.10
IUPAC Name(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1
InChIInChI=1S/C27H21Cl2N3O2/c28-22-6-5-19(15-23(22)29)26(33)18-9-13-32(14-10-18)27(34)21-16-25(17-7-11-30-12-8-17)31-24-4-2-1-3-20(21)24/h1-8,11-12,15-16,18H,9-10,13-14H2
InChIKeyUTVUZOVVBHAJEW-UHFFFAOYSA-N
XLogP6.34
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.39
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
N-(5-methyl-2-pyridinyl)-1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 55810075
(3,4-dichlorophenyl)-[1-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperidin-4-yl]methanone
CID 55956264
[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 31187490
(4-benzylpiperidin-1-yl)-[2-(3,4-dichlorophenyl)quinolin-4-yl]methanone
CID 4626628
(4-amino-3,3-dimethylpiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 120814720
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
CID 78779468
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
(3-aminopiperidin-1-yl)-(2-pyridin-4-ylquinolin-4-yl)methanone;dihydrochloride
CID 119379560
[(2R)-2-methyl-1,4-oxazepan-4-yl]-(2-pyridin-4-ylquinolin-4-yl)methanone
CID 97279020

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone (CID 55955997) is (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)c2cc(-c3ccncc3)nc3ccccc23)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone?
The InChIKey is UTVUZOVVBHAJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21Cl2N3O2/c28-22-6-5-19(15-23(22)29)26(33)18-9-13-32(14-10-18)27(34)21-16-25(17-7-11-30-12-8-17)31-24-4-2-1-3-20(21)24/h1-8,11-12,15-16,18H,9-10,13-14H2.
What are the key properties of (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone?
(3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone has a molecular weight of 490.39 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[1-(2-pyridin-4-ylquinoline-4-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 55955997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).