N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide

C19H18FN3O2 — CID 169148235

IUPACN-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide
SMILESCOc1cc2ccnc(Nc3ccc(F)c(C)c3)c2cc1NC(C)=O
InChIInChI=1S/C19H18FN3O2/c1-11-8-14(4-5-16(11)20)23-19-15-10-17(22-12(2)24)18(25-3)9-13(15)6-7-21-19/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyNNRONZINKSAJRC-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.39
Rot. Bonds4

About N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide

N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide (PubChem CID 169148235) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide
PubChem CID169148235
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide
SMILESCOc1cc2ccnc(Nc3ccc(F)c(C)c3)c2cc1NC(C)=O
InChIInChI=1S/C19H18FN3O2/c1-11-8-14(4-5-16(11)20)23-19-15-10-17(22-12(2)24)18(25-3)9-13(15)6-7-21-19/h4-10H,1-3H3,(H,21,23)(H,22,24)
InChIKeyNNRONZINKSAJRC-UHFFFAOYSA-N
XLogP4.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]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

N-[1-(4-fluoro-3-methylanilino)-6-propoxyisoquinolin-7-yl]butanamide
CID 169148206
N-[1-(4-fluoro-3-methoxyanilino)-6-methoxyisoquinolin-7-yl]-4-piperidin-1-ylbutanamide
CID 169148226
N-[1-(4-fluoro-3-propan-2-ylanilino)-6-methoxyisoquinolin-7-yl]-4-piperidin-1-ylbutanamide
CID 169148285
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyisoquinolin-1-amine
CID 156575619
N-[1-(3-chloro-4-fluoroanilino)-6-methoxyisoquinolin-7-yl]-4-[(3S)-3-fluoropyrrolidin-1-yl]butanamide
CID 169148202
N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]-2-methylphenyl]acetamide
CID 90667704
N-[1-(3,4-dichloroanilino)-6-methoxyisoquinolin-7-yl]-4-piperidin-1-ylbutanamide
CID 169148268
4-(4-fluoro-3-methylanilino)-6-methoxyquinazolin-7-ol
CID 137185960
2-(4-fluoro-3-methylanilino)pyridine-3-carboxylic acid
CID 62812366
(E)-4-(3-azabicyclo[3.1.0]hexan-3-yl)-N-[7-ethoxy-4-(4-fluoro-3-methylanilino)quinazolin-6-yl]but-2-enamide
CID 90207283
N-[1-(3-chloro-4-fluoroanilino)-6-propoxyisoquinolin-7-yl]-4-piperidin-1-ylbutanamide
CID 169148169
N-(4-fluoro-3-methylphenyl)-7-methoxy-6-(2-methylpropoxy)quinazolin-4-amine
CID 165053338

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide?
The IUPAC name of N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide (CID 169148235) is N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide?
The canonical SMILES for N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide is COc1cc2ccnc(Nc3ccc(F)c(C)c3)c2cc1NC(C)=O.
What is the InChIKey of N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide?
The InChIKey is NNRONZINKSAJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-11-8-14(4-5-16(11)20)23-19-15-10-17(22-12(2)24)18(25-3)9-13(15)6-7-21-19/h4-10H,1-3H3,(H,21,23)(H,22,24).
What are the key properties of N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide?
N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide has a molecular weight of 339.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluoro-3-methylanilino)-6-methoxyisoquinolin-7-yl]acetamide is sourced from PubChem (CID 169148235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).