N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide

C20H21N3O2 — CID 59857971

IUPACN-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1
InChIInChI=1S/C20H21N3O2/c1-14(2)25-19-5-3-4-17(11-19)22-13-20(24)23-18-7-6-16-12-21-9-8-15(16)10-18/h3-12,14,22H,13H2,1-2H3,(H,23,24)
InChIKeyLCFIMWLHGSGDKX-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.07
Rot. Bonds6

About N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide

N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide (PubChem CID 59857971) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
PubChem CID59857971
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1
InChIInChI=1S/C20H21N3O2/c1-14(2)25-19-5-3-4-17(11-19)22-13-20(24)23-18-7-6-16-12-21-9-8-15(16)10-18/h3-12,14,22H,13H2,1-2H3,(H,23,24)
InChIKeyLCFIMWLHGSGDKX-UHFFFAOYSA-N
XLogP4.07
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isoquinolin-6-yl-2-(3-methylanilino)acetamide
CID 59857964
2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
CID 59857970
2-(3-propan-2-yloxyanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54829870
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
N-(4-chlorophenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54829967
N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]butanamide
CID 54836962
N-(4-ethoxyphenyl)-2-(3-propan-2-yloxyanilino)acetamide
CID 54830003
N-(3-propan-2-yloxyphenyl)-2-[3-(trifluoromethyl)anilino]acetamide
CID 54833563
2-(3-propan-2-yloxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54830279
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2-(3-heptoxyanilino)-N-(3-propan-2-yloxyphenyl)acetamide
CID 54828862
2-amino-N-(3-propan-2-yloxyphenyl)acetamide
CID 39242033

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide (CID 59857971) is N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide is CC(C)Oc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1.
What is the InChIKey of N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide?
The InChIKey is LCFIMWLHGSGDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(2)25-19-5-3-4-17(11-19)22-13-20(24)23-18-7-6-16-12-21-9-8-15(16)10-18/h3-12,14,22H,13H2,1-2H3,(H,23,24).
What are the key properties of N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide?
N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide has a molecular weight of 335.41 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 59857971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).