3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

C26H23F3N2 — CID 110531259

IUPAC3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
SMILESCCCN1CCc2c(c(-c3cccc(C(F)(F)F)c3)nc3ccc4ccccc4c23)C1
InChIInChI=1S/C26H23F3N2/c1-2-13-31-14-12-21-22(16-31)25(18-7-5-8-19(15-18)26(27,28)29)30-23-11-10-17-6-3-4-9-20(17)24(21)23/h3-11,15H,2,12-14,16H2,1H3
InChIKeyWWVCLWSIOKSXEW-UHFFFAOYSA-N
MW420.48 g/mol
LogP6.84
Rot. Bonds3

About 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine

3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (PubChem CID 110531259) has the molecular formula C26H23F3N2 and a molecular weight of 420.48 g/mol. Its IUPAC name is 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.

Molecular Properties

Compound Name3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
PubChem CID110531259
Molecular FormulaC26H23F3N2
Molecular Weight420.48 g/mol
Exact Mass420.18
IUPAC Name3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
SMILESCCCN1CCc2c(c(-c3cccc(C(F)(F)F)c3)nc3ccc4ccccc4c23)C1
InChIInChI=1S/C26H23F3N2/c1-2-13-31-14-12-21-22(16-31)25(18-7-5-8-19(15-18)26(27,28)29)30-23-11-10-17-6-3-4-9-20(17)24(21)23/h3-11,15H,2,12-14,16H2,1H3
InChIKeyWWVCLWSIOKSXEW-UHFFFAOYSA-N
XLogP6.84
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.48
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-5-(3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)phenol
CID 110532509
5-(4-methoxy-3-nitrophenyl)-3-propyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530904
4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-N,N-dimethylaniline
CID 110533610
2-chloro-4-(3-ethyl-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridin-5-yl)-6-methoxyphenol
CID 136781639
3-ethyl-5-(4-methoxy-3-propan-2-yloxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530940
3-ethyl-5-(3-methoxy-2-propoxyphenyl)-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine
CID 110530930
9-(3-chlorophenyl)-10-azatetracyclo[9.8.0.02,8.014,19]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
CID 102408042
2-ethyl-3-propyl-5-[3-(trifluoromethyl)phenyl]imidazol-4-amine
CID 62226776
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
3-[3,5-bis(3-carbazol-9-ylcarbazol-9-yl)phenyl]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]benzo[f]quinazoline
CID 121404393
5-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 41328061
2-(4-ethylpiperazin-1-yl)-3-phenyl-6-(trifluoromethyl)quinoxaline
CID 10596297

Frequently Asked Questions

What is the IUPAC name of 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The IUPAC name of 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine (CID 110531259) is 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine.
What is the SMILES notation for 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The canonical SMILES for 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is CCCN1CCc2c(c(-c3cccc(C(F)(F)F)c3)nc3ccc4ccccc4c23)C1.
What is the InChIKey of 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
The InChIKey is WWVCLWSIOKSXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2/c1-2-13-31-14-12-21-22(16-31)25(18-7-5-8-19(15-18)26(27,28)29)30-23-11-10-17-6-3-4-9-20(17)24(21)23/h3-11,15H,2,12-14,16H2,1H3.
What are the key properties of 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine?
3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine has a molecular weight of 420.48 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5-[3-(trifluoromethyl)phenyl]-2,4-dihydro-1H-naphtho[2,1-c][2,7]naphthyridine is sourced from PubChem (CID 110531259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).