N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide

C28H24N4O2 — CID 125488218

IUPACN-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)ccc3c2)cc1
InChIInChI=1S/C28H24N4O2/c29-17-20-6-9-24(10-7-20)34-25-11-13-26-22(16-25)8-12-27(31-26)28(33)30-23-14-15-32(19-23)18-21-4-2-1-3-5-21/h1-13,16,23H,14-15,18-19H2,(H,30,33)/t23-/m1/s1
InChIKeyCVQAKOUMWAKOKU-HSZRJFAPSA-N
MW448.53 g/mol
LogP4.90
Rot. Bonds6

About N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide

N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide (PubChem CID 125488218) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide
PubChem CID125488218
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC NameN-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide
SMILESN#Cc1ccc(Oc2ccc3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)ccc3c2)cc1
InChIInChI=1S/C28H24N4O2/c29-17-20-6-9-24(10-7-20)34-25-11-13-26-22(16-25)8-12-27(31-26)28(33)30-23-14-15-32(19-23)18-21-4-2-1-3-5-21/h1-13,16,23H,14-15,18-19H2,(H,30,33)/t23-/m1/s1
InChIKeyCVQAKOUMWAKOKU-HSZRJFAPSA-N
XLogP4.90
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(4-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]quinoline-2-carboxamide
CID 70082543
5-(4-benzylpiperazin-1-yl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 66710221
N-[(2S)-1-[[(3R)-1-benzylpyrrolidin-3-yl]amino]-4-methyl-1-oxopentan-2-yl]quinoline-2-carboxamide
CID 70082091
5-(4-benzylbenzoyl)-N-[1-[(4-cyanophenyl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 122486199
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-chloropyridine-2-carboxamide
CID 9488581
N-[(3S)-1-benzylpyrrolidin-3-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 95145261
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879
N-[1-[(4-cyanophenyl)methyl]piperidin-3-yl]-1,5-dimethylpyrazole-3-carboxamide
CID 172933961
4-[4-[(1-benzylpiperidin-3-yl)carbamoyl]phenoxy]benzamide
CID 56545592
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
6-[(1-benzylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
CID 18133059
4-amino-N-(1-benzylpyrrolidin-3-yl)benzamide
CID 21330045

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide?
The IUPAC name of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide (CID 125488218) is N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide.
What is the SMILES notation for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide?
The canonical SMILES for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide is N#Cc1ccc(Oc2ccc3nc(C(=O)N[C@@H]4CCN(Cc5ccccc5)C4)ccc3c2)cc1.
What is the InChIKey of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide?
The InChIKey is CVQAKOUMWAKOKU-HSZRJFAPSA-N. The full InChI is InChI=1S/C28H24N4O2/c29-17-20-6-9-24(10-7-20)34-25-11-13-26-22(16-25)8-12-27(31-26)28(33)30-23-14-15-32(19-23)18-21-4-2-1-3-5-21/h1-13,16,23H,14-15,18-19H2,(H,30,33)/t23-/m1/s1.
What are the key properties of N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide?
N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-benzylpyrrolidin-3-yl]-6-(4-cyanophenoxy)quinoline-2-carboxamide is sourced from PubChem (CID 125488218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).