4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline

C27H21NO — CID 25129123

IUPAC4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline
SMILESCOc1ccc(Cc2cc3ccccc3cc2-c2cncc3ccccc23)cc1
InChIInChI=1S/C27H21NO/c1-29-24-12-10-19(11-13-24)14-23-15-20-6-2-3-7-21(20)16-26(23)27-18-28-17-22-8-4-5-9-25(22)27/h2-13,15-18H,14H2,1H3
InChIKeyIBJILWXERUCTCJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP6.65
Rot. Bonds4

About 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline

4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline (PubChem CID 25129123) has the molecular formula C27H21NO and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline.

Molecular Properties

Compound Name4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline
PubChem CID25129123
Molecular FormulaC27H21NO
Molecular Weight375.47 g/mol
Exact Mass375.16
IUPAC Name4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline
SMILESCOc1ccc(Cc2cc3ccccc3cc2-c2cncc3ccccc23)cc1
InChIInChI=1S/C27H21NO/c1-29-24-12-10-19(11-13-24)14-23-15-20-6-2-3-7-21(20)16-26(23)27-18-28-17-22-8-4-5-9-25(22)27/h2-13,15-18H,14H2,1H3
InChIKeyIBJILWXERUCTCJ-UHFFFAOYSA-N
XLogP6.65
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 56.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline 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

4-(6-Methoxynaphthalen-2-yl)isoquinoline
CID 24754344
3-(6-Methoxynaphthalen-2-yl)-4-methylpyridine
CID 25034430
3-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539771
(3-Pyridylmethylene)tetrahydronaphthalene 13b
CID 6539772
4-{[(1E)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-ylidene]methyl}pyridine
CID 6539798
(4-Pyridylmethylene)tetrahydronaphthalene 14b
CID 6539799
3-(6-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540049
3-(7-Methoxy-3,4-dihydronaphthalen-2-yl)pyridine
CID 6540057
3-(6-Methoxynaphthalen-2-yl)pyridine
CID 11506923
3-(6-Ethoxynaphthalen-2-yl)pyridine
CID 11557864
3-(1-Chloro-7-methoxynaphthalen-2-yl)pyridine
CID 11680597
3-Methoxy-5-(6-methoxynaphthalen-2-yl)pyridine
CID 24827305

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
The IUPAC name of 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline (CID 25129123) is 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline.
What is the SMILES notation for 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
The canonical SMILES for 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline is COc1ccc(Cc2cc3ccccc3cc2-c2cncc3ccccc23)cc1.
What is the InChIKey of 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
The InChIKey is IBJILWXERUCTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21NO/c1-29-24-12-10-19(11-13-24)14-23-15-20-6-2-3-7-21(20)16-26(23)27-18-28-17-22-8-4-5-9-25(22)27/h2-13,15-18H,14H2,1H3.
What are the key properties of 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline?
4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline has a molecular weight of 375.47 g/mol, XLogP of 6.65, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-methoxyphenyl)methyl]naphthalen-2-yl]isoquinoline is sourced from PubChem (CID 25129123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).