N-isoquinolin-6-yl-2-(3-methylanilino)acetamide

C18H17N3O — CID 59857964

IUPACN-isoquinolin-6-yl-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1
InChIInChI=1S/C18H17N3O/c1-13-3-2-4-16(9-13)20-12-18(22)21-17-6-5-15-11-19-8-7-14(15)10-17/h2-11,20H,12H2,1H3,(H,21,22)
InChIKeyUVAFOISMNCQCNE-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.59
Rot. Bonds4

About N-isoquinolin-6-yl-2-(3-methylanilino)acetamide

N-isoquinolin-6-yl-2-(3-methylanilino)acetamide (PubChem CID 59857964) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-isoquinolin-6-yl-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-isoquinolin-6-yl-2-(3-methylanilino)acetamide
PubChem CID59857964
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-isoquinolin-6-yl-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1
InChIInChI=1S/C18H17N3O/c1-13-3-2-4-16(9-13)20-12-18(22)21-17-6-5-15-11-19-8-7-14(15)10-17/h2-11,20H,12H2,1H3,(H,21,22)
InChIKeyUVAFOISMNCQCNE-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
CID 59857970
N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
CID 59857971
2-[3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]sulfanylanilino]-N-isoquinolin-6-ylacetamide
CID 143394314
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
N-isoquinolin-6-ylbutanamide
CID 118007953
2-(3-methylanilino)-N-(pyridin-4-ylmethyl)acetamide
CID 108999782
2-(3-methylanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 39419759
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
2-[(3-fluorophenyl)methylamino]-N-isoquinolin-6-ylacetamide
CID 24998256
N-(3-chlorophenyl)-2-(naphthalen-2-ylamino)acetamide
CID 9082694

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-6-yl-2-(3-methylanilino)acetamide?
The IUPAC name of N-isoquinolin-6-yl-2-(3-methylanilino)acetamide (CID 59857964) is N-isoquinolin-6-yl-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-isoquinolin-6-yl-2-(3-methylanilino)acetamide?
The canonical SMILES for N-isoquinolin-6-yl-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)Nc2ccc3cnccc3c2)c1.
What is the InChIKey of N-isoquinolin-6-yl-2-(3-methylanilino)acetamide?
The InChIKey is UVAFOISMNCQCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-13-3-2-4-16(9-13)20-12-18(22)21-17-6-5-15-11-19-8-7-14(15)10-17/h2-11,20H,12H2,1H3,(H,21,22).
What are the key properties of N-isoquinolin-6-yl-2-(3-methylanilino)acetamide?
N-isoquinolin-6-yl-2-(3-methylanilino)acetamide has a molecular weight of 291.35 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-6-yl-2-(3-methylanilino)acetamide is sourced from PubChem (CID 59857964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).