(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide

C31H28N2O3 — CID 118916533

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
SMILESCOc1cccc(-c2ccc(CNC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)c3cnccc23)c1
InChIInChI=1S/C31H28N2O3/c1-20(21-7-8-23-16-27(36-3)11-9-22(23)15-21)31(34)33-18-25-10-12-28(29-13-14-32-19-30(25)29)24-5-4-6-26(17-24)35-2/h4-17,19-20H,18H2,1-3H3,(H,33,34)/t20-/m0/s1
InChIKeyVNRCJGQSSGNHPY-FQEVSTJZSA-N
MW476.58 g/mol
LogP6.49
Rot. Bonds7

About (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide (PubChem CID 118916533) has the molecular formula C31H28N2O3 and a molecular weight of 476.58 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
PubChem CID118916533
Molecular FormulaC31H28N2O3
Molecular Weight476.58 g/mol
Exact Mass476.21
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide
SMILESCOc1cccc(-c2ccc(CNC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)c3cnccc23)c1
InChIInChI=1S/C31H28N2O3/c1-20(21-7-8-23-16-27(36-3)11-9-22(23)15-21)31(34)33-18-25-10-12-28(29-13-14-32-19-30(25)29)24-5-4-6-26(17-24)35-2/h4-17,19-20H,18H2,1-3H3,(H,33,34)/t20-/m0/s1
InChIKeyVNRCJGQSSGNHPY-FQEVSTJZSA-N
XLogP6.49
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.58
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide with MolForge

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Related Compounds

(2R)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpropanamide
CID 125465641
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-phenylpyridine-4-carboxamide
CID 118916588
2-[[[5-(3-methoxyphenyl)isoquinolin-8-yl]methylamino]methyl]phenol
CID 42797606
1-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-3-(4-methylphenyl)urea
CID 7261153
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 118916626
N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118916555
4-(2-hydroxyphenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]benzamide
CID 118928930
5-bromo-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]-2-phenylpyridine-3-carboxamide
CID 118916591
N-[[5-(3-hydroxyphenyl)isoquinolin-8-yl]methyl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 118928845
2-(4-fluorophenyl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 118928846
2-(4-methoxyphenyl)-N-[[5-(3-methylphenyl)isoquinolin-8-yl]methyl]cyclopropane-1-carboxamide
CID 130465529
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide (CID 118916533) is (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide is COc1cccc(-c2ccc(CNC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)c3cnccc23)c1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide?
The InChIKey is VNRCJGQSSGNHPY-FQEVSTJZSA-N. The full InChI is InChI=1S/C31H28N2O3/c1-20(21-7-8-23-16-27(36-3)11-9-22(23)15-21)31(34)33-18-25-10-12-28(29-13-14-32-19-30(25)29)24-5-4-6-26(17-24)35-2/h4-17,19-20H,18H2,1-3H3,(H,33,34)/t20-/m0/s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide?
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide has a molecular weight of 476.58 g/mol, XLogP of 6.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)-N-[[5-(3-methoxyphenyl)isoquinolin-8-yl]methyl]propanamide is sourced from PubChem (CID 118916533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).