(3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C18H14F3N3O2 — CID 11462567

IUPAC(3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNc1c(C(=O)c2cnccc2C(F)(F)F)oc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)12-5-6-23-8-11(12)15(25)16-14(22)10-7-9-3-1-2-4-13(9)24-17(10)26-16/h5-8H,1-4,22H2
InChIKeyGKYXHFYPHVXHBW-UHFFFAOYSA-N
MW361.32 g/mol
LogP3.93
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 11462567) has the molecular formula C18H14F3N3O2 and a molecular weight of 361.32 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID11462567
Molecular FormulaC18H14F3N3O2
Molecular Weight361.32 g/mol
Exact Mass361.10
IUPAC Name(3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESNc1c(C(=O)c2cnccc2C(F)(F)F)oc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H14F3N3O2/c19-18(20,21)12-5-6-23-8-11(12)15(25)16-14(22)10-7-9-3-1-2-4-13(9)24-17(10)26-16/h5-8H,1-4,22H2
InChIKeyGKYXHFYPHVXHBW-UHFFFAOYSA-N
XLogP3.93
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 11462567) is (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is Nc1c(C(=O)c2cnccc2C(F)(F)F)oc2nc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is GKYXHFYPHVXHBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O2/c19-18(20,21)12-5-6-23-8-11(12)15(25)16-14(22)10-7-9-3-1-2-4-13(9)24-17(10)26-16/h5-8H,1-4,22H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 361.32 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrofuro[2,3-b]quinolin-2-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 11462567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).