N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide

C20H20ClN3O2 — CID 136967880

IUPACN-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C20H20ClN3O2/c1-13(25)23-9-8-22-12-15-10-14(2-5-20(15)26)17-6-7-24-19-11-16(21)3-4-18(17)19/h2-7,10-11,22,26H,8-9,12H2,1H3,(H,23,25)
InChIKeyBAYPCGRQPQRMML-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.49
Rot. Bonds6

About N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide

N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide (PubChem CID 136967880) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide
PubChem CID136967880
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O
InChIInChI=1S/C20H20ClN3O2/c1-13(25)23-9-8-22-12-15-10-14(2-5-20(15)26)17-6-7-24-19-11-16(21)3-4-18(17)19/h2-7,10-11,22,26H,8-9,12H2,1H3,(H,23,25)
InChIKeyBAYPCGRQPQRMML-UHFFFAOYSA-N
XLogP3.49
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(7-chloroquinolin-4-yl)-2-hydroxybenzoic acid
CID 167888725
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550
4-(7-chloroquinolin-4-yl)-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
CID 135858729
4-(7-chloroquinolin-4-yl)-2-[[(2S)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888232
4-(7-chloroquinolin-4-yl)-2-[[(2R)-2-methylpiperidin-1-yl]methyl]phenol
CID 135888231
2-[[3-[(7-chloroquinolin-4-yl)amino]propylamino]methyl]-4-methoxyphenol
CID 46222242
4-[(7-chloroquinolin-4-yl)amino]-2-[(hexylamino)methyl]phenol
CID 135358665
4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol
CID 135988270
N-[2-[(5-chloro-2-nitrophenyl)methylamino]ethyl]acetamide
CID 78998670
N-[2-[(3,5-dichloro-2-hydroxyphenyl)methylamino]ethyl]acetamide
CID 28684903
3-[(5-chloro-2-hydroxyphenyl)methylamino]propanoic acid
CID 43139894
4-chloro-2-[[2-(2-hydroxyethylamino)ethylamino]methyl]phenol
CID 139241738

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide (CID 136967880) is N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1cc(-c2ccnc3cc(Cl)ccc23)ccc1O.
What is the InChIKey of N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide?
The InChIKey is BAYPCGRQPQRMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13(25)23-9-8-22-12-15-10-14(2-5-20(15)26)17-6-7-24-19-11-16(21)3-4-18(17)19/h2-7,10-11,22,26H,8-9,12H2,1H3,(H,23,25).
What are the key properties of N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide?
N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide has a molecular weight of 369.85 g/mol, XLogP of 3.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(7-chloroquinolin-4-yl)-2-hydroxyphenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 136967880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).