N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide

C21H21ClN4O3 — CID 139292825

IUPACN-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C(O)N3CCOCC3)c3cccc(Cl)c3n2)cn1
InChIInChI=1S/C21H21ClN4O3/c1-13(27)24-19-6-5-14(12-23-19)18-11-16(21(28)26-7-9-29-10-8-26)15-3-2-4-17(22)20(15)25-18/h2-6,11-12,21,28H,7-10H2,1H3,(H,23,24,27)
InChIKeySJYIEWMPHNLCDQ-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.23
Rot. Bonds4

About N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide

N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide (PubChem CID 139292825) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide
PubChem CID139292825
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(C(O)N3CCOCC3)c3cccc(Cl)c3n2)cn1
InChIInChI=1S/C21H21ClN4O3/c1-13(27)24-19-6-5-14(12-23-19)18-11-16(21(28)26-7-9-29-10-8-26)15-3-2-4-17(22)20(15)25-18/h2-6,11-12,21,28H,7-10H2,1H3,(H,23,24,27)
InChIKeySJYIEWMPHNLCDQ-UHFFFAOYSA-N
XLogP3.23
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-N-[6-(hydroxymethyl)-2-pyridinyl]piperidine-4-carboxamide
CID 89736238
N-[[3-chloro-5-(hydroxymethyl)phenyl]methyl]-N-[4-[2-[(8-cyanobenzo[c][2,6]naphthyridin-5-yl)amino]ethoxy]butyl]-2,2,2-trifluoroacetamide
CID 171065936
N-[5-[8-chloro-4-(morpholine-4-carbonyl)quinolin-2-yl]-2-pyridinyl]acetamide
CID 132020222
2-[[6-Chloro-5-[hydroxy-[[2-morpholin-4-yl-2-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]amino]methyl]quinolin-2-yl]amino]propan-1-ol
CID 162557926
1-(8-Chloro-6-methylquinolin-4-yl)-3-[6-(oxan-4-yl)-2-pyridinyl]urea
CID 57520370
1-(6,8-Dichloroquinolin-4-yl)-3-[6-(oxan-4-yl)-2-pyridinyl]urea
CID 57520464
1-(8-Chloroquinolin-4-yl)-3-[6-(oxan-4-yl)-2-pyridinyl]urea
CID 57520466
N-(4-butan-2-ylphenyl)-2-(3-chloro-2-pyridinyl)-7-(2-methoxyethoxymethyl)-1,6-naphthyridin-5-amine
CID 58683675
1-[3,5-Dichloro-4-(pyrido[4,3-c][1,6]naphthyridin-6-ylamino)phenyl]propan-1-ol
CID 90960380
N-[2-[2-[2-chloro-4-(4-methylpiperazin-1-yl)anilino]-7-(hydroxymethyl)quinazolin-8-yl]-4-pyridinyl]prop-2-enamide
CID 117909717
N-[4-[2-(1-hydroxy-3-methylbutyl)quinolin-8-yl]-2-pyridinyl]acetamide
CID 135333927
(Z,2E)-5-(3-chloroquinolin-6-yl)-2-ethylidene-4-(methylideneamino)-N-[[2-methyl-6-(2-phenylmethoxyethylamino)-3-pyridinyl]methyl]pent-3-enamide
CID 137385999

Frequently Asked Questions

What is the IUPAC name of N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide (CID 139292825) is N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(-c2cc(C(O)N3CCOCC3)c3cccc(Cl)c3n2)cn1.
What is the InChIKey of N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide?
The InChIKey is SJYIEWMPHNLCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-13(27)24-19-6-5-14(12-23-19)18-11-16(21(28)26-7-9-29-10-8-26)15-3-2-4-17(22)20(15)25-18/h2-6,11-12,21,28H,7-10H2,1H3,(H,23,24,27).
What are the key properties of N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide?
N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 412.88 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[8-chloro-4-[hydroxy(morpholin-4-yl)methyl]quinolin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 139292825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).