2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide

C30H30N2O3 — CID 163338327

IUPAC2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H30N2O3/c1-2-34-23-17-15-22(16-18-23)28-19-25(24-11-6-7-12-26(24)31-28)30(33)32-27-13-8-14-29(27)35-20-21-9-4-3-5-10-21/h3-7,9-12,15-19,27,29H,2,8,13-14,20H2,1H3,(H,32,33)/t27-,29-/m1/s1
InChIKeyWKVPLUYUKQGIHR-XRKRLSELSA-N
MW466.58 g/mol
LogP6.17
Rot. Bonds8

About 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide

2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide (PubChem CID 163338327) has the molecular formula C30H30N2O3 and a molecular weight of 466.58 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide
PubChem CID163338327
Molecular FormulaC30H30N2O3
Molecular Weight466.58 g/mol
Exact Mass466.23
IUPAC Name2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3)c3ccccc3n2)cc1
InChIInChI=1S/C30H30N2O3/c1-2-34-23-17-15-22(16-18-23)28-19-25(24-11-6-7-12-26(24)31-28)30(33)32-27-13-8-14-29(27)35-20-21-9-4-3-5-10-21/h3-7,9-12,15-19,27,29H,2,8,13-14,20H2,1H3,(H,32,33)/t27-,29-/m1/s1
InChIKeyWKVPLUYUKQGIHR-XRKRLSELSA-N
XLogP6.17
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.58
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 92773019
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
N-(2,6-diethylphenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3426683
N-(2,3-dimethylcyclohexyl)-2-phenylquinoline-4-carboxamide
CID 5141902
N-(2,6-dichlorophenyl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 4278019
2-(4-ethoxyphenyl)-N-[2-(4-methoxyphenoxy)ethyl]quinoline-4-carboxamide
CID 46098671
2-(4-chlorophenyl)-N-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 3128623
N-cyclododecyl-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide
CID 4287408
[4-[2-(4-ethoxyphenyl)quinoline-4-carbonyl]-2,5-dimethylpiperazin-1-yl]-[2-(4-ethoxyphenyl)quinolin-4-yl]methanone
CID 3504538
2-(4-ethoxyphenyl)-N-(3-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 1358364
dimethyl 5-[[2-(4-ethoxyphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1291458
N-[1-(4-chlorophenyl)propan-2-yl]-2-(4-ethoxyphenyl)quinoline-4-carboxamide
CID 46098242

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide (CID 163338327) is 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)N[C@@H]3CCC[C@H]3OCc3ccccc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide?
The InChIKey is WKVPLUYUKQGIHR-XRKRLSELSA-N. The full InChI is InChI=1S/C30H30N2O3/c1-2-34-23-17-15-22(16-18-23)28-19-25(24-11-6-7-12-26(24)31-28)30(33)32-27-13-8-14-29(27)35-20-21-9-4-3-5-10-21/h3-7,9-12,15-19,27,29H,2,8,13-14,20H2,1H3,(H,32,33)/t27-,29-/m1/s1.
What are the key properties of 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 6.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[(1R,2R)-2-phenylmethoxycyclopentyl]quinoline-4-carboxamide is sourced from PubChem (CID 163338327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).