N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine

C23H18N4O2 — CID 20604154

IUPACN-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine
SMILESCOc1cccc(Oc2cc3ccccc3c(Nc3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C23H18N4O2/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23/h2-14H,1H3,(H2,24,25,26,27)
InChIKeyTWNGTMZWHVECNK-UHFFFAOYSA-N
MW382.42 g/mol
LogP5.66
Rot. Bonds5

About N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine

N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine (PubChem CID 20604154) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine
PubChem CID20604154
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC NameN-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine
SMILESCOc1cccc(Oc2cc3ccccc3c(Nc3n[nH]c4ccccc34)n2)c1
InChIInChI=1S/C23H18N4O2/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23/h2-14H,1H3,(H2,24,25,26,27)
InChIKeyTWNGTMZWHVECNK-UHFFFAOYSA-N
XLogP5.66
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.42
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287
N-[3-(3-methoxyphenyl)sulfanyl-1,2,4-triazin-5-yl]-1H-indazol-3-amine
CID 10132590
N-(4-methoxypyridazin-3-yl)-1H-indazol-3-amine
CID 166129517
N-(2-methoxy-5-methylphenyl)-1H-indazol-3-amine
CID 166128556
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
N-(3-chlorophenyl)-5-methoxy-1H-indazol-3-amine
CID 24991698
6-[[1-(1H-indazol-3-ylamino)isoquinolin-3-yl]amino]-1,2-dihydroindazol-3-one
CID 58936322
N-[4-(2-iodo-4-methoxyphenyl)-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1H-indazol-3-amine
CID 70839643
N-(2-methylphenyl)-1H-indazol-3-amine
CID 59097627
N-(methoxymethyl)-1H-indazol-3-amine
CID 142778933
N-(1-benzofuran-7-yl)-1H-indazol-3-amine
CID 166128468
N-(5-cyclopropylsulfanyl-3-methoxy-2-pyridinyl)-1H-indazol-3-amine
CID 166129333

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine?
The IUPAC name of N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine (CID 20604154) is N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine is COc1cccc(Oc2cc3ccccc3c(Nc3n[nH]c4ccccc34)n2)c1.
What is the InChIKey of N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine?
The InChIKey is TWNGTMZWHVECNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-28-16-8-6-9-17(14-16)29-21-13-15-7-2-3-10-18(15)22(24-21)25-23-19-11-4-5-12-20(19)26-27-23/h2-14H,1H3,(H2,24,25,26,27).
What are the key properties of N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine?
N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine has a molecular weight of 382.42 g/mol, XLogP of 5.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-3-(3-methoxyphenoxy)isoquinolin-1-amine is sourced from PubChem (CID 20604154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).