sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C38H34ClF6N6NaO4 — CID 162198597

IUPACsodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(O)C(F)(F)F.CC(Oc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(F)(F)F.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.[H-].[Na+]
InChIInChI=1S/C19H16F3N3O2.C16H12ClN3O.C3H5F3O.Na.H/c1-10(19(20,21)22)27-16-6-5-11-3-2-4-12(17(11)25-16)15-9-13-14(24-15)7-8-23-18(13)26;17-14-5-4-9-2-1-3-10(15(9)20-14)13-8-11-12(19-13)6-7-18-16(11)21;1-2(7)3(4,5)6;;/h2-6,9-10,24H,7-8H2,1H3,(H,23,26);1-5,8,19H,6-7H2,(H,18,21);2,7H,1H3;;/q;;;+1;-1
InChIKeyWZVCVJYOOTYPBJ-UHFFFAOYSA-N
MW811.16 g/mol
LogP5.06
Rot. Bonds4

About sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 162198597) has the molecular formula C38H34ClF6N6NaO4 and a molecular weight of 811.16 g/mol. Its IUPAC name is sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Namesodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID162198597
Molecular FormulaC38H34ClF6N6NaO4
Molecular Weight811.16 g/mol
Exact Mass810.21
IUPAC Namesodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(O)C(F)(F)F.CC(Oc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(F)(F)F.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.[H-].[Na+]
InChIInChI=1S/C19H16F3N3O2.C16H12ClN3O.C3H5F3O.Na.H/c1-10(19(20,21)22)27-16-6-5-11-3-2-4-12(17(11)25-16)15-9-13-14(24-15)7-8-23-18(13)26;17-14-5-4-9-2-1-3-10(15(9)20-14)13-8-11-12(19-13)6-7-18-16(11)21;1-2(7)3(4,5)6;;/h2-6,9-10,24H,7-8H2,1H3,(H,23,26);1-5,8,19H,6-7H2,(H,18,21);2,7H,1H3;;/q;;;+1;-1
InChIKeyWZVCVJYOOTYPBJ-UHFFFAOYSA-N
XLogP5.06
TPSA145.02 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.16
LogP ≤ 55.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 162198597) is sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(O)C(F)(F)F.CC(Oc1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1)C(F)(F)F.O=C1NCCc2[nH]c(-c3cccc4ccc(Cl)nc34)cc21.[H-].[Na+].
What is the InChIKey of sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is WZVCVJYOOTYPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2.C16H12ClN3O.C3H5F3O.Na.H/c1-10(19(20,21)22)27-16-6-5-11-3-2-4-12(17(11)25-16)15-9-13-14(24-15)7-8-23-18(13)26;17-14-5-4-9-2-1-3-10(15(9)20-14)13-8-11-12(19-13)6-7-18-16(11)21;1-2(7)3(4,5)6;;/h2-6,9-10,24H,7-8H2,1H3,(H,23,26);1-5,8,19H,6-7H2,(H,18,21);2,7H,1H3;;/q;;;+1;-1.
What are the key properties of sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 811.16 g/mol, XLogP of 5.06, 4 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-(2-chloroquinolin-8-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydride;1,1,1-trifluoropropan-2-ol;2-[2-(1,1,1-trifluoropropan-2-yloxy)quinolin-8-yl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 162198597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).