N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide

C22H22FN3O3 — CID 42879512

IUPACN-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide
SMILESCOCCn1c(N)c(-c2ccccc2F)c2ccc(NC(=O)C3CC3)cc2c1=O
InChIInChI=1S/C22H22FN3O3/c1-29-11-10-26-20(24)19(16-4-2-3-5-18(16)23)15-9-8-14(12-17(15)22(26)28)25-21(27)13-6-7-13/h2-5,8-9,12-13H,6-7,10-11,24H2,1H3,(H,25,27)
InChIKeyHEJUIKOUGATAQD-UHFFFAOYSA-N
MW395.43 g/mol
LogP3.38
Rot. Bonds6

About N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide

N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide (PubChem CID 42879512) has the molecular formula C22H22FN3O3 and a molecular weight of 395.43 g/mol. Its IUPAC name is N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide
PubChem CID42879512
Molecular FormulaC22H22FN3O3
Molecular Weight395.43 g/mol
Exact Mass395.16
IUPAC NameN-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide
SMILESCOCCn1c(N)c(-c2ccccc2F)c2ccc(NC(=O)C3CC3)cc2c1=O
InChIInChI=1S/C22H22FN3O3/c1-29-11-10-26-20(24)19(16-4-2-3-5-18(16)23)15-9-8-14(12-17(15)22(26)28)25-21(27)13-6-7-13/h2-5,8-9,12-13H,6-7,10-11,24H2,1H3,(H,25,27)
InChIKeyHEJUIKOUGATAQD-UHFFFAOYSA-N
XLogP3.38
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide 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-[3-amino-2-(2-methoxyethyl)-1-oxo-4-phenylisoquinolin-7-yl]-2-methylbenzamide
CID 42879505
N-[3-amino-2-(2-methoxyethyl)-4-(4-methylphenyl)-1-oxoisoquinolin-7-yl]-2-methoxybenzamide
CID 42879509
N-[3-amino-4-(2-methoxyphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide
CID 42879541
4-N-(3,4-difluorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146590
N-[3-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112752545
4-N-(2,6-difluorophenyl)-1-N-(3-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109151046
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-4-(cyclopropanecarbonylamino)benzamide
CID 55335336
N-[4-(2-methoxyethylamino)phenyl]cyclopropanecarboxamide
CID 112980891
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-5-(2-fluorophenyl)furan-2-carboxamide
CID 24682818
N-[2-acetyl-4-(2-methylphenyl)-1-oxoisoquinolin-7-yl]piperidine-4-carboxamide
CID 172523405
N-[3-(2-methoxyethoxy)phenyl]cyclopropanecarboxamide
CID 47231480
N-[2-cyclopropyl-3-[(3-methoxyphenyl)methyl]-4-oxoquinazolin-6-yl]cyclopropanecarboxamide
CID 1456638

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide (CID 42879512) is N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide is COCCn1c(N)c(-c2ccccc2F)c2ccc(NC(=O)C3CC3)cc2c1=O.
What is the InChIKey of N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide?
The InChIKey is HEJUIKOUGATAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O3/c1-29-11-10-26-20(24)19(16-4-2-3-5-18(16)23)15-9-8-14(12-17(15)22(26)28)25-21(27)13-6-7-13/h2-5,8-9,12-13H,6-7,10-11,24H2,1H3,(H,25,27).
What are the key properties of N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide?
N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide has a molecular weight of 395.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-(2-fluorophenyl)-2-(2-methoxyethyl)-1-oxoisoquinolin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42879512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).