2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde

C27H22N4O4 — CID 87721313

IUPAC2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(Oc5ccccc5CC=O)c4)cc3c2cc1OC
InChIInChI=1S/C27H22N4O4/c1-33-25-11-20-19-10-22(31-27(28)21(19)15-30-23(20)12-26(25)34-2)17-9-18(14-29-13-17)35-24-6-4-3-5-16(24)7-8-32/h3-6,8-15H,7H2,1-2H3,(H2,28,31)
InChIKeyPYHNDABNMACVCK-UHFFFAOYSA-N
MW466.50 g/mol
LogP4.98
Rot. Bonds7

About 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde

2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde (PubChem CID 87721313) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
PubChem CID87721313
Molecular FormulaC27H22N4O4
Molecular Weight466.50 g/mol
Exact Mass466.16
IUPAC Name2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde
SMILESCOc1cc2ncc3c(N)nc(-c4cncc(Oc5ccccc5CC=O)c4)cc3c2cc1OC
InChIInChI=1S/C27H22N4O4/c1-33-25-11-20-19-10-22(31-27(28)21(19)15-30-23(20)12-26(25)34-2)17-9-18(14-29-13-17)35-24-6-4-3-5-16(24)7-8-32/h3-6,8-15H,7H2,1-2H3,(H2,28,31)
InChIKeyPYHNDABNMACVCK-UHFFFAOYSA-N
XLogP4.98
TPSA109.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde?
The IUPAC name of 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde (CID 87721313) is 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde?
The canonical SMILES for 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde is COc1cc2ncc3c(N)nc(-c4cncc(Oc5ccccc5CC=O)c4)cc3c2cc1OC.
What is the InChIKey of 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde?
The InChIKey is PYHNDABNMACVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-33-25-11-20-19-10-22(31-27(28)21(19)15-30-23(20)12-26(25)34-2)17-9-18(14-29-13-17)35-24-6-4-3-5-16(24)7-8-32/h3-6,8-15H,7H2,1-2H3,(H2,28,31).
What are the key properties of 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde?
2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde has a molecular weight of 466.50 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[5-(4-amino-8,9-dimethoxybenzo[c][2,7]naphthyridin-2-yl)-3-pyridinyl]oxy]phenyl]acetaldehyde is sourced from PubChem (CID 87721313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).