6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide

C25H24Cl3N3O2 — CID 46891330

IUPAC6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
SMILESCN1c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2C(C(=O)NCO)CC1(C)C
InChIInChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33)
InChIKeyURTQOVWDFKPXTI-UHFFFAOYSA-N
MW504.85 g/mol
LogP6.14
Rot. Bonds4

About 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide

6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide (PubChem CID 46891330) has the molecular formula C25H24Cl3N3O2 and a molecular weight of 504.85 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
PubChem CID46891330
Molecular FormulaC25H24Cl3N3O2
Molecular Weight504.85 g/mol
Exact Mass503.09
IUPAC Name6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
SMILESCN1c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2C(C(=O)NCO)CC1(C)C
InChIInChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33)
InChIKeyURTQOVWDFKPXTI-UHFFFAOYSA-N
XLogP6.14
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.85
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide (CID 46891330) is 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide is CN1c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc2C(C(=O)NCO)CC1(C)C.
What is the InChIKey of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
The InChIKey is URTQOVWDFKPXTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl3N3O2/c1-25(2)12-20(24(33)29-13-32)19-11-18(14-4-6-15(26)7-5-14)22(30-23(19)31(25)3)17-9-8-16(27)10-21(17)28/h4-11,20,32H,12-13H2,1-3H3,(H,29,33).
What are the key properties of 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide?
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide has a molecular weight of 504.85 g/mol, XLogP of 6.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(hydroxymethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide is sourced from PubChem (CID 46891330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).