N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide

C23H29N5O — CID 92639170

IUPACN-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc12
InChIInChI=1S/C23H29N5O/c1-16(2)13-24-23(29)20-12-22(26-21-7-5-4-6-19(20)21)17-9-11-28(14-17)15-18-8-10-25-27(18)3/h4-8,10,12,16-17H,9,11,13-15H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKeyFOHPGHCGPCNKKU-QGZVFWFLSA-N
MW391.52 g/mol
LogP3.34
Rot. Bonds6

About N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide

N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide (PubChem CID 92639170) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
PubChem CID92639170
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC NameN-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
SMILESCC(C)CNC(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc12
InChIInChI=1S/C23H29N5O/c1-16(2)13-24-23(29)20-12-22(26-21-7-5-4-6-19(20)21)17-9-11-28(14-17)15-18-8-10-25-27(18)3/h4-8,10,12,16-17H,9,11,13-15H2,1-3H3,(H,24,29)/t17-/m1/s1
InChIKeyFOHPGHCGPCNKKU-QGZVFWFLSA-N
XLogP3.34
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

2-[(2R)-4-methylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638375
2-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638758
2-[(3S)-1-[4-(methoxymethyl)benzoyl]pyrrolidin-3-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92637717
2-[(2R)-4-benzoylmorpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92638905
2-[4-[[2-(dimethylamino)pyrimidin-5-yl]methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110251973
2-[(2R)-4-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]morpholin-2-yl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 92639058
N-propan-2-yl-2-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638872
N-propan-2-yl-2-[1-(quinolin-6-ylmethyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 110251614
2-[4-[[(2-methoxy-2-methylpropanoyl)amino]methyl]cyclohexyl]-N-(2-methylpropyl)quinoline-4-carboxamide
CID 110085196
2-[(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-propan-2-ylquinoline-4-carboxamide
CID 92638819
N-(2-methoxyethyl)-2-[(3S)-1-(2-propan-2-ylpyrazole-3-carbonyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92639155
N-(2-methoxyethyl)-2-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]quinoline-4-carboxamide
CID 92638776

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide (CID 92639170) is N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide is CC(C)CNC(=O)c1cc([C@@H]2CCN(Cc3ccnn3C)C2)nc2ccccc12.
What is the InChIKey of N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
The InChIKey is FOHPGHCGPCNKKU-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H29N5O/c1-16(2)13-24-23(29)20-12-22(26-21-7-5-4-6-19(20)21)17-9-11-28(14-17)15-18-8-10-25-27(18)3/h4-8,10,12,16-17H,9,11,13-15H2,1-3H3,(H,24,29)/t17-/m1/s1.
What are the key properties of N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide?
N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]quinoline-4-carboxamide is sourced from PubChem (CID 92639170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).