1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

C23H19FN4O — CID 73295888

IUPAC1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4cnc(N)cc34)cc2)c1
InChIInChI=1S/C23H19FN4O/c1-14-5-10-20(24)21(11-14)28-23(29)27-17-8-6-15(7-9-17)18-4-2-3-16-13-26-22(25)12-19(16)18/h2-13H,1H3,(H2,25,26)(H2,27,28,29)
InChIKeyWCZDCGLCMLFIGL-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.58
Rot. Bonds3

About 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea

1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (PubChem CID 73295888) has the molecular formula C23H19FN4O and a molecular weight of 386.43 g/mol. Its IUPAC name is 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.

Molecular Properties

Compound Name1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
PubChem CID73295888
Molecular FormulaC23H19FN4O
Molecular Weight386.43 g/mol
Exact Mass386.15
IUPAC Name1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
SMILESCc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4cnc(N)cc34)cc2)c1
InChIInChI=1S/C23H19FN4O/c1-14-5-10-20(24)21(11-14)28-23(29)27-17-8-6-15(7-9-17)18-4-2-3-16-13-26-22(25)12-19(16)18/h2-13H,1H3,(H2,25,26)(H2,27,28,29)
InChIKeyWCZDCGLCMLFIGL-UHFFFAOYSA-N
XLogP5.58
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-aminoimidazo[1,5-a]pyridin-8-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 25135144
[6-amino-5-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-3-pyridinyl]boronic acid
CID 131735817
1-(4-chlorophenyl)-3-(2-fluoro-5-methylphenyl)urea
CID 742689
1-[4-(3-amino-7-fluoro-2,1-benzoxazol-4-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 69169305
1-(2-fluoro-5-methylphenyl)-3-[4-[3-(hydroxymethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 141360769
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenyl)urea
CID 6467653
1-[4-[4-amino-7-(2,6-difluoro-3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18451082
1-[4-(4-amino-2-methylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 18450937
1-[4-[4-amino-7-(3-methylphenyl)furo[3,2-c]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
CID 70973555
1-(2-fluoro-5-methylphenyl)-3-[4-(1-hydroxyethyl)phenyl]urea
CID 61346848
1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
CID 24889618
1-[4-[3-amino-7-(methoxymethoxy)-1H-indazol-4-yl]phenyl]-3-(2-fluoro-5-methylphenyl)urea
CID 11166445

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The IUPAC name of 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea (CID 73295888) is 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea.
What is the SMILES notation for 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The canonical SMILES for 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4cnc(N)cc34)cc2)c1.
What is the InChIKey of 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
The InChIKey is WCZDCGLCMLFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O/c1-14-5-10-20(24)21(11-14)28-23(29)27-17-8-6-15(7-9-17)18-4-2-3-16-13-26-22(25)12-19(16)18/h2-13H,1H3,(H2,25,26)(H2,27,28,29).
What are the key properties of 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea?
1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea has a molecular weight of 386.43 g/mol, XLogP of 5.58, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-aminoisoquinolin-5-yl)phenyl]-3-(2-fluoro-5-methylphenyl)urea is sourced from PubChem (CID 73295888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).