4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide

C19H17F3N4O — CID 23630142

IUPAC4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccccc3C(F)(F)F)cccc2c1N
InChIInChI=1S/C19H17F3N4O/c1-2-10-24-18(27)17-15(23)13-8-5-7-12(16(13)25-26-17)11-6-3-4-9-14(11)19(20,21)22/h3-9H,2,10H2,1H3,(H2,23,25)(H,24,27)
InChIKeyHBOCIEQHPNRRKU-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.04
Rot. Bonds4

About 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide

4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide (PubChem CID 23630142) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
PubChem CID23630142
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide
SMILESCCCNC(=O)c1nnc2c(-c3ccccc3C(F)(F)F)cccc2c1N
InChIInChI=1S/C19H17F3N4O/c1-2-10-24-18(27)17-15(23)13-8-5-7-12(16(13)25-26-17)11-6-3-4-9-14(11)19(20,21)22/h3-9H,2,10H2,1H3,(H2,23,25)(H,24,27)
InChIKeyHBOCIEQHPNRRKU-UHFFFAOYSA-N
XLogP4.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide?
The IUPAC name of 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide (CID 23630142) is 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide is CCCNC(=O)c1nnc2c(-c3ccccc3C(F)(F)F)cccc2c1N.
What is the InChIKey of 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide?
The InChIKey is HBOCIEQHPNRRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c1-2-10-24-18(27)17-15(23)13-8-5-7-12(16(13)25-26-17)11-6-3-4-9-14(11)19(20,21)22/h3-9H,2,10H2,1H3,(H2,23,25)(H,24,27).
What are the key properties of 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide?
4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide has a molecular weight of 374.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propyl-8-[2-(trifluoromethyl)phenyl]cinnoline-3-carboxamide is sourced from PubChem (CID 23630142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).