1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C21H18IN5O3 — CID 11511882

IUPAC1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nn2c(C)nc3ccc(I)cc3c2=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H18IN5O3/c1-4-26-10-16(18(28)14-7-5-11(2)23-19(14)26)20(29)25-27-12(3)24-17-8-6-13(22)9-15(17)21(27)30/h5-10H,4H2,1-3H3,(H,25,29)
InChIKeyQBWYOFHBVNGEQV-UHFFFAOYSA-N
MW515.31 g/mol
LogP2.73
Rot. Bonds3

About 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 11511882) has the molecular formula C21H18IN5O3 and a molecular weight of 515.31 g/mol. Its IUPAC name is 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID11511882
Molecular FormulaC21H18IN5O3
Molecular Weight515.31 g/mol
Exact Mass515.05
IUPAC Name1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)Nn2c(C)nc3ccc(I)cc3c2=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C21H18IN5O3/c1-4-26-10-16(18(28)14-7-5-11(2)23-19(14)26)20(29)25-27-12(3)24-17-8-6-13(22)9-15(17)21(27)30/h5-10H,4H2,1-3H3,(H,25,29)
InChIKeyQBWYOFHBVNGEQV-UHFFFAOYSA-N
XLogP2.73
TPSA98.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide 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 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 11511882) is 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)Nn2c(C)nc3ccc(I)cc3c2=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is QBWYOFHBVNGEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18IN5O3/c1-4-26-10-16(18(28)14-7-5-11(2)23-19(14)26)20(29)25-27-12(3)24-17-8-6-13(22)9-15(17)21(27)30/h5-10H,4H2,1-3H3,(H,25,29).
What are the key properties of 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 515.31 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(6-iodo-2-methyl-4-oxoquinazolin-3-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 11511882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).