ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide

C23H27N3O — CID 22146675

IUPACethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
SMILESCC.Cc1c(N2CCCC2)nc2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N3O.C2H6/c1-15-19(21(25)22-16-9-3-2-4-10-16)17-11-5-6-12-18(17)23-20(15)24-13-7-8-14-24;1-2/h2-6,9-12H,7-8,13-14H2,1H3,(H,22,25);1-2H3
InChIKeyLIMBWSRPTBSFPW-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.42
Rot. Bonds3

About ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide

ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide (PubChem CID 22146675) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Nameethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
PubChem CID22146675
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Nameethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide
SMILESCC.Cc1c(N2CCCC2)nc2ccccc2c1C(=O)Nc1ccccc1
InChIInChI=1S/C21H21N3O.C2H6/c1-15-19(21(25)22-16-9-3-2-4-10-16)17-11-5-6-12-18(17)23-20(15)24-13-7-8-14-24;1-2/h2-6,9-12H,7-8,13-14H2,1H3,(H,22,25);1-2H3
InChIKeyLIMBWSRPTBSFPW-UHFFFAOYSA-N
XLogP5.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146630
3-methoxy-N-phenyl-2-piperidin-1-ylquinoline-4-carboxamide
CID 22146631
6-bromo-N-(4-chlorophenyl)-3-methyl-2-(1,4-oxazepan-4-yl)quinoline-4-carboxamide
CID 175333756
3-methyl-N-[3-[(3-methyl-2-phenylquinoline-4-carbonyl)amino]phenyl]-2-phenylquinoline-4-carboxamide
CID 3540473
N-[4-[(4-pyrrolidin-1-ylquinazolin-2-yl)amino]phenyl]acetamide
CID 50946172
N-(4-acetylphenyl)-3-pyrrolidin-1-ylquinoxaline-2-carboxamide
CID 53094663
N-phenyl-1,2,3,4-tetrahydroacridine-9-carboxamide
CID 775717
2-bromo-3-methoxy-N-phenylquinoline-4-carboxamide
CID 22146664
4-[[3-methyl-2-(4-methylphenyl)quinoline-4-carbonyl]amino]benzoic acid
CID 3395284
N-(3-methylphenyl)-2-piperidin-1-ylquinoline-4-carboxamide
CID 745042
2,3,4,5,6-pentamethyl-N-phenylbenzamide
CID 60629319
tert-butyl N-[2-[2-[2-[[3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carbonyl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 70695733

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide?
The IUPAC name of ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide (CID 22146675) is ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide.
What is the SMILES notation for ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide?
The canonical SMILES for ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide is CC.Cc1c(N2CCCC2)nc2ccccc2c1C(=O)Nc1ccccc1.
What is the InChIKey of ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide?
The InChIKey is LIMBWSRPTBSFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O.C2H6/c1-15-19(21(25)22-16-9-3-2-4-10-16)17-11-5-6-12-18(17)23-20(15)24-13-7-8-14-24;1-2/h2-6,9-12H,7-8,13-14H2,1H3,(H,22,25);1-2H3.
What are the key properties of ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide?
ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 5.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-N-phenyl-2-pyrrolidin-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 22146675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).