N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine

C26H18N4O — CID 122457792

IUPACN-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine
SMILESc1ccc2oc(-c3cncc4ccc(CNc5ccnc6ncccc56)cc34)cc2c1
InChIInChI=1S/C26H18N4O/c1-2-6-24-18(4-1)13-25(31-24)22-16-27-15-19-8-7-17(12-21(19)22)14-30-23-9-11-29-26-20(23)5-3-10-28-26/h1-13,15-16H,14H2,(H,28,29,30)
InChIKeyPAZYBDBQMOHSSS-UHFFFAOYSA-N
MW402.46 g/mol
LogP6.20
Rot. Bonds4

About N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine

N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine (PubChem CID 122457792) has the molecular formula C26H18N4O and a molecular weight of 402.46 g/mol. Its IUPAC name is N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine
PubChem CID122457792
Molecular FormulaC26H18N4O
Molecular Weight402.46 g/mol
Exact Mass402.15
IUPAC NameN-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine
SMILESc1ccc2oc(-c3cncc4ccc(CNc5ccnc6ncccc56)cc34)cc2c1
InChIInChI=1S/C26H18N4O/c1-2-6-24-18(4-1)13-25(31-24)22-16-27-15-19-8-7-17(12-21(19)22)14-30-23-9-11-29-26-20(23)5-3-10-28-26/h1-13,15-16H,14H2,(H,28,29,30)
InChIKeyPAZYBDBQMOHSSS-UHFFFAOYSA-N
XLogP6.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.46
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine?
The IUPAC name of N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine (CID 122457792) is N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine.
What is the SMILES notation for N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine?
The canonical SMILES for N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine is c1ccc2oc(-c3cncc4ccc(CNc5ccnc6ncccc56)cc34)cc2c1.
What is the InChIKey of N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine?
The InChIKey is PAZYBDBQMOHSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O/c1-2-6-24-18(4-1)13-25(31-24)22-16-27-15-19-8-7-17(12-21(19)22)14-30-23-9-11-29-26-20(23)5-3-10-28-26/h1-13,15-16H,14H2,(H,28,29,30).
What are the key properties of N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine?
N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine has a molecular weight of 402.46 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-benzofuran-2-yl)isoquinolin-6-yl]methyl]-1,8-naphthyridin-4-amine is sourced from PubChem (CID 122457792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).