N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene

C31H35F3N4O2 — CID 142225586

IUPACN-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene
SMILESC=C(C)C.C=CC.CC.O=CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H15F3N4O2.C4H8.C3H6.C2H6/c23-22(24,25)16-11-18(26-13-30)28-21-20(16)17(31)12-19(27-14-7-3-1-4-8-14)29(21)15-9-5-2-6-10-15;1-4(2)3;1-3-2;1-2/h1-13,27H,(H,26,28,30);1H2,2-3H3;3H,1H2,2H3;1-2H3
InChIKeyDIWWSAFARCHUTL-UHFFFAOYSA-N
MW552.64 g/mol
LogP8.52
Rot. Bonds5

About N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene

N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene (PubChem CID 142225586) has the molecular formula C31H35F3N4O2 and a molecular weight of 552.64 g/mol. Its IUPAC name is N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene.

Molecular Properties

Compound NameN-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene
PubChem CID142225586
Molecular FormulaC31H35F3N4O2
Molecular Weight552.64 g/mol
Exact Mass552.27
IUPAC NameN-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene
SMILESC=C(C)C.C=CC.CC.O=CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1
InChIInChI=1S/C22H15F3N4O2.C4H8.C3H6.C2H6/c23-22(24,25)16-11-18(26-13-30)28-21-20(16)17(31)12-19(27-14-7-3-1-4-8-14)29(21)15-9-5-2-6-10-15;1-4(2)3;1-3-2;1-2/h1-13,27H,(H,26,28,30);1H2,2-3H3;3H,1H2,2H3;1-2H3
InChIKeyDIWWSAFARCHUTL-UHFFFAOYSA-N
XLogP8.52
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.64
LogP ≤ 58.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]amino]-N,N-dimethylacetamide
CID 20790460
2-anilino-7-phenoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790875
2-anilino-7-(anilinomethyl)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790701
3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N-methylpropanamide
CID 67564367
2-anilino-7-(2-methoxyethoxy)-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790642
3-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]-N,N-dimethylpropanamide
CID 20790996
2-anilino-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;butane;N,N-dimethylformamide
CID 142224726
2-anilino-7-ethoxy-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one;2-[[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]sulfanyl]acetamide
CID 158266622
2-anilino-7-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1-phenyl-5-(trifluoromethyl)-1,8-naphthyridin-4-one
CID 20790651
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
CID 20791091
2-(cyclohexa-1,5-dien-1-ylamino)-1-phenyl-7-propoxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one;formic acid
CID 142224612
2-anilino-7-[(4-methoxyphenyl)methylamino]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10226621

Frequently Asked Questions

What is the IUPAC name of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene?
The IUPAC name of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene (CID 142225586) is N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene.
What is the SMILES notation for N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene?
The canonical SMILES for N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene is C=C(C)C.C=CC.CC.O=CNc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccccc3)n(-c3ccccc3)c2n1.
What is the InChIKey of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene?
The InChIKey is DIWWSAFARCHUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N4O2.C4H8.C3H6.C2H6/c23-22(24,25)16-11-18(26-13-30)28-21-20(16)17(31)12-19(27-14-7-3-1-4-8-14)29(21)15-9-5-2-6-10-15;1-4(2)3;1-3-2;1-2/h1-13,27H,(H,26,28,30);1H2,2-3H3;3H,1H2,2H3;1-2H3.
What are the key properties of N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene?
N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene has a molecular weight of 552.64 g/mol, XLogP of 8.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-anilino-5-oxo-8-phenyl-4-(trifluoromethyl)-1,8-naphthyridin-2-yl]formamide;ethane;2-methylprop-1-ene;prop-1-ene is sourced from PubChem (CID 142225586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).