1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea

C19H18F3N5O — CID 11494816

IUPAC1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea
SMILESCN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H18F3N5O/c1-27-8-7-15(12-6-5-11(9-17(12)27)19(20,21)22)25-18(28)24-14-3-2-4-16-13(14)10-23-26-16/h2-6,9-10,15H,7-8H2,1H3,(H,23,26)(H2,24,25,28)
InChIKeyITFPFVZGWFKJMG-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.28
Rot. Bonds2

About 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea

1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea (PubChem CID 11494816) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea.

Molecular Properties

Compound Name1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea
PubChem CID11494816
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea
SMILESCN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(C(F)(F)F)cc21
InChIInChI=1S/C19H18F3N5O/c1-27-8-7-15(12-6-5-11(9-17(12)27)19(20,21)22)25-18(28)24-14-3-2-4-16-13(14)10-23-26-16/h2-6,9-10,15H,7-8H2,1H3,(H,23,26)(H2,24,25,28)
InChIKeyITFPFVZGWFKJMG-UHFFFAOYSA-N
XLogP4.28
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
The IUPAC name of 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea (CID 11494816) is 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea.
What is the SMILES notation for 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
The canonical SMILES for 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea is CN1CCC(NC(=O)Nc2cccc3[nH]ncc23)c2ccc(C(F)(F)F)cc21.
What is the InChIKey of 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
The InChIKey is ITFPFVZGWFKJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-27-8-7-15(12-6-5-11(9-17(12)27)19(20,21)22)25-18(28)24-14-3-2-4-16-13(14)10-23-26-16/h2-6,9-10,15H,7-8H2,1H3,(H,23,26)(H2,24,25,28).
What are the key properties of 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea?
1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea has a molecular weight of 389.38 g/mol, XLogP of 4.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-4-yl)-3-[1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinolin-4-yl]urea is sourced from PubChem (CID 11494816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).