4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

C28H36N4O2 — CID 163560273

IUPAC4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCc1c(-c2ccc(OC3CCN(C(=O)NCCN4CCCC4)CC3)cc2)ccc2c1NCC=C2
InChIInChI=1S/C28H36N4O2/c1-21-26(11-8-23-5-4-14-29-27(21)23)22-6-9-24(10-7-22)34-25-12-18-32(19-13-25)28(33)30-15-20-31-16-2-3-17-31/h4-11,25,29H,2-3,12-20H2,1H3,(H,30,33)
InChIKeyFQQMYVYQMRZVIR-UHFFFAOYSA-N
MW460.62 g/mol
LogP4.75
Rot. Bonds6

About 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide

4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (PubChem CID 163560273) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
PubChem CID163560273
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide
SMILESCc1c(-c2ccc(OC3CCN(C(=O)NCCN4CCCC4)CC3)cc2)ccc2c1NCC=C2
InChIInChI=1S/C28H36N4O2/c1-21-26(11-8-23-5-4-14-29-27(21)23)22-6-9-24(10-7-22)34-25-12-18-32(19-13-25)28(33)30-15-20-31-16-2-3-17-31/h4-11,25,29H,2-3,12-20H2,1H3,(H,30,33)
InChIKeyFQQMYVYQMRZVIR-UHFFFAOYSA-N
XLogP4.75
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide with MolForge

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Related Compounds

1-[4-[4-[6-(2-pyrrolidin-1-ylethylamino)quinolin-7-yl]phenoxy]piperidin-1-yl]propan-1-one
CID 155010954
4-[[[4-(4-methylphenoxy)piperidine-1-carbonyl]amino]methyl]benzoic acid
CID 122021103
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109426654
N-(cyclohexylmethyl)-4-pyridin-4-yloxypiperidine-1-carboxamide
CID 119070282
1-(2-piperidin-1-ylethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 55149905
cyclopropyl-[4-[4-[8-(2-pyrrolidin-1-ylethoxy)quinolin-7-yl]phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702483
N-[2-[4-(hydroxymethyl)piperidin-1-yl]ethyl]-3-(3-methylphenoxy)azetidine-1-carboxamide
CID 122556550
3-[4-(4-methylphenoxy)piperidin-1-yl]propan-1-ol
CID 111423473
N-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]oxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 25301725
4-[[4-(4-cyanophenoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 122021250
7-[4-(1-propanoylpiperidin-4-yl)oxyphenyl]quinoline-8-carboxylic acid
CID 142800445
4-(2-methyl-6-oxopyran-4-yl)oxy-N-(3-phenylpropyl)piperidine-1-carboxamide
CID 90629205

Frequently Asked Questions

What is the IUPAC name of 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide (CID 163560273) is 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is Cc1c(-c2ccc(OC3CCN(C(=O)NCCN4CCCC4)CC3)cc2)ccc2c1NCC=C2.
What is the InChIKey of 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is FQQMYVYQMRZVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-21-26(11-8-23-5-4-14-29-27(21)23)22-6-9-24(10-7-22)34-25-12-18-32(19-13-25)28(33)30-15-20-31-16-2-3-17-31/h4-11,25,29H,2-3,12-20H2,1H3,(H,30,33).
What are the key properties of 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide?
4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 4.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(8-methyl-1,2-dihydroquinolin-7-yl)phenoxy]-N-(2-pyrrolidin-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 163560273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).