1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide

C25H28N2O3 — CID 100770449

IUPAC1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCC2)cc1
InChIInChI=1S/C25H28N2O3/c1-17(2)30-22-13-12-21(20-7-6-16-26-23(20)22)27-24(28)25(14-4-5-15-25)18-8-10-19(29-3)11-9-18/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28)
InChIKeyXRDWYRNGKXRCDY-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.48
Rot. Bonds6

About 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide

1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide (PubChem CID 100770449) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
PubChem CID100770449
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC Name1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide
SMILESCOc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCC2)cc1
InChIInChI=1S/C25H28N2O3/c1-17(2)30-22-13-12-21(20-7-6-16-26-23(20)22)27-24(28)25(14-4-5-15-25)18-8-10-19(29-3)11-9-18/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28)
InChIKeyXRDWYRNGKXRCDY-UHFFFAOYSA-N
XLogP5.48
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-N-(4-propan-2-yloxynaphthalen-1-yl)cyclopentane-1-carboxamide
CID 100744434
N-(8-methoxyquinolin-5-yl)-1-phenylcyclohexane-1-carboxamide
CID 100770558
1-(4-methylphenyl)-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclohexane-1-carboxamide
CID 100770996
1-(4-methoxyphenyl)-N-[4-(2-methylpropoxy)naphthalen-1-yl]cyclohexane-1-carboxamide
CID 100747706
1-(4-chlorophenyl)-N-(8-ethoxyquinolin-5-yl)cyclopentane-1-carboxamide
CID 100770049
4-(4-fluorophenyl)-N-(8-methoxyquinolin-5-yl)oxane-4-carboxamide
CID 100772769
trans-(1R,3S)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775604
trans-(1S,3R)-1-methoxy-3-methyl-N-(8-propan-2-yloxyquinolin-5-yl)cyclohexane-1-carboxamide
CID 100775596
1-methoxy-N-[8-(2-methylpropoxy)quinolin-5-yl]cyclopentane-1-carboxamide
CID 100775150
2-(4-methoxyphenoxy)-N-(8-methoxyquinolin-5-yl)acetamide
CID 26823047
2-methyl-N-(8-propan-2-yloxyquinolin-5-yl)-2-propoxypropanamide
CID 100777551
2-methoxy-2,4-dimethyl-N-(8-propan-2-yloxyquinolin-5-yl)pentanamide
CID 133205573

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide (CID 100770449) is 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ncccc34)CCCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is XRDWYRNGKXRCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-17(2)30-22-13-12-21(20-7-6-16-26-23(20)22)27-24(28)25(14-4-5-15-25)18-8-10-19(29-3)11-9-18/h6-13,16-17H,4-5,14-15H2,1-3H3,(H,27,28).
What are the key properties of 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide?
1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-(8-propan-2-yloxyquinolin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 100770449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).