N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide

C21H22ClN3O2 — CID 11383515

IUPACN-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide
SMILESCC(C)CNc1c(NC(=O)COc2ccccc2)c(Cl)nc2ccccc12
InChIInChI=1S/C21H22ClN3O2/c1-14(2)12-23-19-16-10-6-7-11-17(16)24-21(22)20(19)25-18(26)13-27-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGLMKIXKAJPWVBQ-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.97
Rot. Bonds7

About N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide

N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide (PubChem CID 11383515) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide
PubChem CID11383515
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC NameN-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide
SMILESCC(C)CNc1c(NC(=O)COc2ccccc2)c(Cl)nc2ccccc12
InChIInChI=1S/C21H22ClN3O2/c1-14(2)12-23-19-16-10-6-7-11-17(16)24-21(22)20(19)25-18(26)13-27-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyGLMKIXKAJPWVBQ-UHFFFAOYSA-N
XLogP4.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-4-[(2-hydroxy-2-methylpropyl)amino]quinolin-3-yl]butanamide
CID 166510856
2-(4-tert-butylphenoxy)-N'-(4-chloroacridin-9-yl)acetohydrazide
CID 134104918
N'-acridin-9-yl-2-(3-methylphenoxy)acetohydrazide
CID 2962367
N-(2-methylpropyl)-2-[(2-phenoxyacetyl)amino]benzamide
CID 18089922
N-(3-methylbutyl)-2-phenoxyacetamide
CID 2905656
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-(5,6-dichloropyrimidin-4-yl)-2-phenoxyacetamide
CID 114050083
N-[(1S)-1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-2-phenoxyacetamide
CID 1055781
2-phenoxy-N-(2-propan-2-ylphenyl)acetamide
CID 723304
[2-[[2-chloro-4-[2-(methanesulfonamido)-2-methylpropyl]quinolin-3-yl]amino]-2-oxoethyl] acetate
CID 87430646
N-[1-[1-(3-methylbutyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971721
N-(4-phenoxyphenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1320918

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide?
The IUPAC name of N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide (CID 11383515) is N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide is CC(C)CNc1c(NC(=O)COc2ccccc2)c(Cl)nc2ccccc12.
What is the InChIKey of N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide?
The InChIKey is GLMKIXKAJPWVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-14(2)12-23-19-16-10-6-7-11-17(16)24-21(22)20(19)25-18(26)13-27-15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide?
N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide has a molecular weight of 383.88 g/mol, XLogP of 4.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-methylpropylamino)quinolin-3-yl]-2-phenoxyacetamide is sourced from PubChem (CID 11383515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).