1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-

C17H16N2O — CID 11300052

IUPACN-(4-methoxyphenyl)-N-methylisoquinolin-1-amine
SMILESCN(C1=CC=C(C=C1)OC)C2=NC=CC3=CC=CC=C32
InChIInChI=1S/C17H16N2O/c1-19(14-7-9-15(20-2)10-8-14)17-16-6-4-3-5-13(16)11-12-18-17/h3-12H,1-2H3
InChIKeyXKYHYVYGGIKRPR-UHFFFAOYSA-N
MW264.32 g/mol
LogP4.10
Rot. Bonds3

About 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-

1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl- (PubChem CID 11300052) has the molecular formula C17H16N2O and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-N-methylisoquinolin-1-amine.

Molecular Properties

Compound Name1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-
PubChem CID11300052
Molecular FormulaC17H16N2O
Molecular Weight264.32 g/mol
Exact Mass264.13
IUPAC NameN-(4-methoxyphenyl)-N-methylisoquinolin-1-amine
SMILESCN(C1=CC=C(C=C1)OC)C2=NC=CC3=CC=CC=C32
InChIInChI=1S/C17H16N2O/c1-19(14-7-9-15(20-2)10-8-14)17-16-6-4-3-5-13(16)11-12-18-17/h3-12H,1-2H3
InChIKeyXKYHYVYGGIKRPR-UHFFFAOYSA-N
XLogP4.10
TPSA25.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity301

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrilamine
CID 4992
Verubulin
CID 11414799
6-Methoxyquinazoline
CID 13126887
Pyrilamine hydrochloride
CID 80139
1-[3-(5-Methoxy-1,2,3,4-tetrahydro-naphthalen-1-yl)-propyl]-4-pyridin-2-yl-piperazine
CID 10474042
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
2,4-Disubstituted Pyrimidine 2g
CID 5329420
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
2-chloro-4-(6-methoxy-3,4-dihydroquinolin-1(2H)-yl)pyrido[2,3-d]pyrimidine
CID 134611708
1-[3-(5-Methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)-propyl]-4-pyridin-2-yl-piperazine
CID 10248163
cis-1-(4-(3-Methoxyphenyl)cyclohexyl)-4-(pyridin-2-yl)piperazine
CID 10020855

Frequently Asked Questions

What is the IUPAC name of 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-?
The IUPAC name of 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl- (CID 11300052) is N-(4-methoxyphenyl)-N-methylisoquinolin-1-amine.
What is the SMILES notation for 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-?
The canonical SMILES for 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl- is CN(C1=CC=C(C=C1)OC)C2=NC=CC3=CC=CC=C32.
What is the InChIKey of 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-?
The InChIKey is XKYHYVYGGIKRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-19(14-7-9-15(20-2)10-8-14)17-16-6-4-3-5-13(16)11-12-18-17/h3-12H,1-2H3.
What are the key properties of 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl-?
1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl- has a molecular weight of 264.32 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Isoquinolinamine, N-(4-methoxyphenyl)-N-methyl- is sourced from PubChem (CID 11300052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).