8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one

C27H30ClFN4O2 — CID 134535343

IUPAC8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
SMILESCc1nc(CC(C)CC(C)(N)COc2ccc3c(c2)c(=O)n(C)c2c(C)nccc32)cc(Cl)c1F
InChIInChI=1S/C27H30ClFN4O2/c1-15(10-18-11-23(28)24(29)16(2)32-18)13-27(4,30)14-35-19-6-7-20-21-8-9-31-17(3)25(21)33(5)26(34)22(20)12-19/h6-9,11-12,15H,10,13-14,30H2,1-5H3
InChIKeyRWQVDGUBXZEVGN-UHFFFAOYSA-N
MW497.01 g/mol
LogP5.26
Rot. Bonds7

About 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one

8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one (PubChem CID 134535343) has the molecular formula C27H30ClFN4O2 and a molecular weight of 497.01 g/mol. Its IUPAC name is 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
PubChem CID134535343
Molecular FormulaC27H30ClFN4O2
Molecular Weight497.01 g/mol
Exact Mass496.20
IUPAC Name8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
SMILESCc1nc(CC(C)CC(C)(N)COc2ccc3c(c2)c(=O)n(C)c2c(C)nccc32)cc(Cl)c1F
InChIInChI=1S/C27H30ClFN4O2/c1-15(10-18-11-23(28)24(29)16(2)32-18)13-27(4,30)14-35-19-6-7-20-21-8-9-31-17(3)25(21)33(5)26(34)22(20)12-19/h6-9,11-12,15H,10,13-14,30H2,1-5H3
InChIKeyRWQVDGUBXZEVGN-UHFFFAOYSA-N
XLogP5.26
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.01
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one 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 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one (CID 134535343) is 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one is Cc1nc(CC(C)CC(C)(N)COc2ccc3c(c2)c(=O)n(C)c2c(C)nccc32)cc(Cl)c1F.
What is the InChIKey of 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
The InChIKey is RWQVDGUBXZEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClFN4O2/c1-15(10-18-11-23(28)24(29)16(2)32-18)13-27(4,30)14-35-19-6-7-20-21-8-9-31-17(3)25(21)33(5)26(34)22(20)12-19/h6-9,11-12,15H,10,13-14,30H2,1-5H3.
What are the key properties of 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one has a molecular weight of 497.01 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-amino-5-(4-chloro-5-fluoro-6-methyl-2-pyridinyl)-2,4-dimethylpentoxy]-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 134535343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).