N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide

C26H32N4O4 — CID 44536338

IUPACN-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc(OC)c(NC=O)c4)CC3)c2c1
InChIInChI=1S/C26H32N4O4/c1-33-20-4-5-23-22(14-20)21(7-10-27-23)25(32)16-30-11-8-19(9-12-30)28-15-18-3-6-26(34-2)24(13-18)29-17-31/h3-7,10,13-14,17,19,25,28,32H,8-9,11-12,15-16H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyQNONVVZXIJZHBK-VWLOTQADSA-N
MW464.57 g/mol
LogP3.11
Rot. Bonds10

About N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide

N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide (PubChem CID 44536338) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide.

Molecular Properties

Compound NameN-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide
PubChem CID44536338
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide
SMILESCOc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc(OC)c(NC=O)c4)CC3)c2c1
InChIInChI=1S/C26H32N4O4/c1-33-20-4-5-23-22(14-20)21(7-10-27-23)25(32)16-30-11-8-19(9-12-30)28-15-18-3-6-26(34-2)24(13-18)29-17-31/h3-7,10,13-14,17,19,25,28,32H,8-9,11-12,15-16H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyQNONVVZXIJZHBK-VWLOTQADSA-N
XLogP3.11
TPSA95.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide?
The IUPAC name of N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide (CID 44536338) is N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide.
What is the SMILES notation for N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide?
The canonical SMILES for N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide is COc1ccc2nccc([C@@H](O)CN3CCC(NCc4ccc(OC)c(NC=O)c4)CC3)c2c1.
What is the InChIKey of N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide?
The InChIKey is QNONVVZXIJZHBK-VWLOTQADSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-33-20-4-5-23-22(14-20)21(7-10-27-23)25(32)16-30-11-8-19(9-12-30)28-15-18-3-6-26(34-2)24(13-18)29-17-31/h3-7,10,13-14,17,19,25,28,32H,8-9,11-12,15-16H2,1-2H3,(H,29,31)/t25-/m0/s1.
What are the key properties of N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide?
N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide has a molecular weight of 464.57 g/mol, XLogP of 3.11, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[1-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperidin-4-yl]amino]methyl]-2-methoxyphenyl]formamide is sourced from PubChem (CID 44536338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).