N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide

C27H31N3O2 — CID 42364369

IUPACN-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N2CCC(O)CC2)C2CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-18-6-8-20(9-7-18)27(32)30(23-10-11-23)17-22-16-21-5-3-4-19(2)25(21)28-26(22)29-14-12-24(31)13-15-29/h3-9,16,23-24,31H,10-15,17H2,1-2H3
InChIKeyJIQLDJWROBVMSX-UHFFFAOYSA-N
MW429.56 g/mol
LogP4.62
Rot. Bonds5

About N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide

N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide (PubChem CID 42364369) has the molecular formula C27H31N3O2 and a molecular weight of 429.56 g/mol. Its IUPAC name is N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide
PubChem CID42364369
Molecular FormulaC27H31N3O2
Molecular Weight429.56 g/mol
Exact Mass429.24
IUPAC NameN-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N2CCC(O)CC2)C2CC2)cc1
InChIInChI=1S/C27H31N3O2/c1-18-6-8-20(9-7-18)27(32)30(23-10-11-23)17-22-16-21-5-3-4-19(2)25(21)28-26(22)29-14-12-24(31)13-15-29/h3-9,16,23-24,31H,10-15,17H2,1-2H3
InChIKeyJIQLDJWROBVMSX-UHFFFAOYSA-N
XLogP4.62
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.56
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide (CID 42364369) is N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide is Cc1ccc(C(=O)N(Cc2cc3cccc(C)c3nc2N2CCC(O)CC2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide?
The InChIKey is JIQLDJWROBVMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O2/c1-18-6-8-20(9-7-18)27(32)30(23-10-11-23)17-22-16-21-5-3-4-19(2)25(21)28-26(22)29-14-12-24(31)13-15-29/h3-9,16,23-24,31H,10-15,17H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide?
N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide has a molecular weight of 429.56 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[[2-(4-hydroxypiperidin-1-yl)-8-methylquinolin-3-yl]methyl]-4-methylbenzamide is sourced from PubChem (CID 42364369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).