N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide

C23H26ClN3O — CID 152876447

IUPACN-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](CCc2ccc(Cl)cn2)C(C)C)c2ccccc2n1
InChIInChI=1S/C23H26ClN3O/c1-15(2)22(12-11-18-10-9-17(24)14-25-18)27(4)23(28)20-13-16(3)26-21-8-6-5-7-19(20)21/h5-10,13-15,22H,11-12H2,1-4H3/t22-/m1/s1
InChIKeyUANBEJVUJCOONZ-JOCHJYFZSA-N
MW395.93 g/mol
LogP5.32
Rot. Bonds6

About N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide

N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide (PubChem CID 152876447) has the molecular formula C23H26ClN3O and a molecular weight of 395.93 g/mol. Its IUPAC name is N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide
PubChem CID152876447
Molecular FormulaC23H26ClN3O
Molecular Weight395.93 g/mol
Exact Mass395.18
IUPAC NameN-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide
SMILESCc1cc(C(=O)N(C)[C@H](CCc2ccc(Cl)cn2)C(C)C)c2ccccc2n1
InChIInChI=1S/C23H26ClN3O/c1-15(2)22(12-11-18-10-9-17(24)14-25-18)27(4)23(28)20-13-16(3)26-21-8-6-5-7-19(20)21/h5-10,13-15,22H,11-12H2,1-4H3/t22-/m1/s1
InChIKeyUANBEJVUJCOONZ-JOCHJYFZSA-N
XLogP5.32
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.93
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide with MolForge

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Related Compounds

N,2-dimethyl-N-(2-methylpropyl)quinoline-4-carboxamide
CID 134005837
N-(3-aminopropyl)-2-methyl-N-propan-2-ylquinoline-4-carboxamide
CID 43319257
2-(4-chlorophenoxy)ethyl 2-methylquinoline-4-carboxylate
CID 7351431
2-chloro-N-(1-hydroxypropan-2-yl)-N-methylquinoline-4-carboxamide
CID 104551638
3-methyl-1-(2-methylquinolin-4-yl)butan-1-one
CID 105077594
2-methoxy-1-(2-methylquinolin-4-yl)ethanone
CID 105115074
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391
[2-(4-chlorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 882322
[1-(4-chloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 6914942
2-methyl-N-[(2R)-4-phenylbutan-2-yl]quinoline-4-carboxamide
CID 7032720
N-[(3-bromocyclobutyl)methyl]-N,2-dimethylquinoline-4-carboxamide
CID 80676660
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide?
The IUPAC name of N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide (CID 152876447) is N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide is Cc1cc(C(=O)N(C)[C@H](CCc2ccc(Cl)cn2)C(C)C)c2ccccc2n1.
What is the InChIKey of N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide?
The InChIKey is UANBEJVUJCOONZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26ClN3O/c1-15(2)22(12-11-18-10-9-17(24)14-25-18)27(4)23(28)20-13-16(3)26-21-8-6-5-7-19(20)21/h5-10,13-15,22H,11-12H2,1-4H3/t22-/m1/s1.
What are the key properties of N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide?
N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-(5-chloro-2-pyridinyl)-4-methylpentan-3-yl]-N,2-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 152876447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).