2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen

C28H34N4O — CID 142225323

IUPAC2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
SMILESCc1nc2c(cc1CNC1CCCCC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C28H30N4O.2H2/c1-20-21(19-29-22-11-5-2-6-12-22)17-25-26(33)18-27(31-23-13-7-3-8-14-23)32(28(25)30-20)24-15-9-4-10-16-24;;/h3-4,7-10,13-18,22,29,31H,2,5-6,11-12,19H2,1H3;2*1H
InChIKeyOUQHEBJUHUSSIO-UHFFFAOYSA-N
MW442.61 g/mol
LogP6.35
Rot. Bonds6

About 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen

2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen (PubChem CID 142225323) has the molecular formula C28H34N4O and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen.

Molecular Properties

Compound Name2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
PubChem CID142225323
Molecular FormulaC28H34N4O
Molecular Weight442.61 g/mol
Exact Mass442.27
IUPAC Name2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen
SMILESCc1nc2c(cc1CNC1CCCCC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.[H][H].[H][H]
InChIInChI=1S/C28H30N4O.2H2/c1-20-21(19-29-22-11-5-2-6-12-22)17-25-26(33)18-27(31-23-13-7-3-8-14-23)32(28(25)30-20)24-15-9-4-10-16-24;;/h3-4,7-10,13-18,22,29,31H,2,5-6,11-12,19H2,1H3;2*1H
InChIKeyOUQHEBJUHUSSIO-UHFFFAOYSA-N
XLogP6.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.61
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen?
The IUPAC name of 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen (CID 142225323) is 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen.
What is the SMILES notation for 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen?
The canonical SMILES for 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen is Cc1nc2c(cc1CNC1CCCCC1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.[H][H].[H][H].
What is the InChIKey of 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen?
The InChIKey is OUQHEBJUHUSSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O.2H2/c1-20-21(19-29-22-11-5-2-6-12-22)17-25-26(33)18-27(31-23-13-7-3-8-14-23)32(28(25)30-20)24-15-9-4-10-16-24;;/h3-4,7-10,13-18,22,29,31H,2,5-6,11-12,19H2,1H3;2*1H.
What are the key properties of 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen?
2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen has a molecular weight of 442.61 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-[(cyclohexylamino)methyl]-7-methyl-1-phenyl-1,8-naphthyridin-4-one;molecular hydrogen is sourced from PubChem (CID 142225323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).