6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide

C24H26ClN3O2 — CID 155810174

IUPAC6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(N3CCC[C@H]3C)cc2)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C24H26ClN3O2/c1-15-4-3-13-28(15)19-8-5-17(6-9-19)11-12-26-24(30)22-16(2)23(29)20-14-18(25)7-10-21(20)27-22/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,29)/t15-/m1/s1
InChIKeyULGZDMBMOUGUKI-OAHLLOKOSA-N
MW423.94 g/mol
LogP4.45
Rot. Bonds5

About 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide

6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 155810174) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound Name6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide
PubChem CID155810174
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide
SMILESCc1c(C(=O)NCCc2ccc(N3CCC[C@H]3C)cc2)[nH]c2ccc(Cl)cc2c1=O
InChIInChI=1S/C24H26ClN3O2/c1-15-4-3-13-28(15)19-8-5-17(6-9-19)11-12-26-24(30)22-16(2)23(29)20-14-18(25)7-10-21(20)27-22/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,29)/t15-/m1/s1
InChIKeyULGZDMBMOUGUKI-OAHLLOKOSA-N
XLogP4.45
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-[[ethyl(methyl)amino]methyl]-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide
CID 169175710
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CID 113205294
5-chloro-N-[2-(3,4-dichlorophenyl)ethyl]-3-ethyl-1H-indole-2-carboxamide
CID 118728586
N-(1,3-benzodioxol-5-ylmethyl)-5-chloro-3-methyl-1H-indole-2-carboxamide
CID 113204704
ethyl 4-[(5-chloro-3-methyl-1H-indole-2-carbonyl)amino]piperidine-1-carboxylate
CID 113204728
N-[2-(4-fluorophenyl)ethyl]-3,6-dimethyl-1H-indole-2-carboxamide
CID 113204989
6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-4-oxo-1H-quinoline-3-carboxamide
CID 141109799
5-chloro-3-ethyl-N-[2-(3-hydroxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 118728584
2,5-dichloro-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 16889501
5-chloro-3-ethyl-N-[2-[4-(hexanoylamino)phenyl]ethyl]-1H-indole-2-carboxamide
CID 118727855
N-[2-(4-chlorophenyl)ethyl]-4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
CID 20883657
3-amino-6-methyl-N-[2-[4-[(2S)-2-methylpiperazin-1-yl]phenyl]ethyl]thieno[2,3-b]pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide (CID 155810174) is 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide is Cc1c(C(=O)NCCc2ccc(N3CCC[C@H]3C)cc2)[nH]c2ccc(Cl)cc2c1=O.
What is the InChIKey of 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is ULGZDMBMOUGUKI-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c1-15-4-3-13-28(15)19-8-5-17(6-9-19)11-12-26-24(30)22-16(2)23(29)20-14-18(25)7-10-21(20)27-22/h5-10,14-15H,3-4,11-13H2,1-2H3,(H,26,30)(H,27,29)/t15-/m1/s1.
What are the key properties of 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide?
6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 423.94 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-N-[2-[4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]ethyl]-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 155810174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).