N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide

C23H25N3O2 — CID 30695715

IUPACN-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)c2cccc3cccnc23)N2CCCC2)c1
InChIInChI=1S/C23H25N3O2/c1-28-19-10-4-8-18(15-19)21(26-13-2-3-14-26)16-25-23(27)20-11-5-7-17-9-6-12-24-22(17)20/h4-12,15,21H,2-3,13-14,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyMXZUIKFUIVGLOQ-NRFANRHFSA-N
MW375.47 g/mol
LogP3.81
Rot. Bonds6

About N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide

N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide (PubChem CID 30695715) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
PubChem CID30695715
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide
SMILESCOc1cccc([C@H](CNC(=O)c2cccc3cccnc23)N2CCCC2)c1
InChIInChI=1S/C23H25N3O2/c1-28-19-10-4-8-18(15-19)21(26-13-2-3-14-26)16-25-23(27)20-11-5-7-17-9-6-12-24-22(17)20/h4-12,15,21H,2-3,13-14,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyMXZUIKFUIVGLOQ-NRFANRHFSA-N
XLogP3.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dimethylbenzamide
CID 43007764
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
2,6-dimethoxy-N-[2-(3-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 112506691
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 46536982
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 110301839
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
CID 166191531
5-methoxy-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-nitrobenzamide
CID 47879332
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-methyl-2-pyrrolidin-1-ylbenzamide
CID 166208823
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
3-iodo-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43005771
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrazol-1-ylbenzamide
CID 78803328
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]azocane-1-carboxamide
CID 112806953

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide?
The IUPAC name of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide (CID 30695715) is N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide?
The canonical SMILES for N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide is COc1cccc([C@H](CNC(=O)c2cccc3cccnc23)N2CCCC2)c1.
What is the InChIKey of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide?
The InChIKey is MXZUIKFUIVGLOQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-19-10-4-8-18(15-19)21(26-13-2-3-14-26)16-25-23(27)20-11-5-7-17-9-6-12-24-22(17)20/h4-12,15,21H,2-3,13-14,16H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide?
N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]quinoline-8-carboxamide is sourced from PubChem (CID 30695715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).