7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one

C21H13F2N3O — CID 25212403

IUPAC7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(Cn2c3ccccc3c3ccncc32)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C21H13F2N3O/c22-16-6-5-13-12(9-19(27)25-21(13)20(16)23)11-26-17-4-2-1-3-14(17)15-7-8-24-10-18(15)26/h1-10H,11H2,(H,25,27)
InChIKeyWWIXZKNJLKACBM-UHFFFAOYSA-N
MW361.35 g/mol
LogP4.36
Rot. Bonds2

About 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one

7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one (PubChem CID 25212403) has the molecular formula C21H13F2N3O and a molecular weight of 361.35 g/mol. Its IUPAC name is 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one
PubChem CID25212403
Molecular FormulaC21H13F2N3O
Molecular Weight361.35 g/mol
Exact Mass361.10
IUPAC Name7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one
SMILESO=c1cc(Cn2c3ccccc3c3ccncc32)c2ccc(F)c(F)c2[nH]1
InChIInChI=1S/C21H13F2N3O/c22-16-6-5-13-12(9-19(27)25-21(13)20(16)23)11-26-17-4-2-1-3-14(17)15-7-8-24-10-18(15)26/h1-10H,11H2,(H,25,27)
InChIKeyWWIXZKNJLKACBM-UHFFFAOYSA-N
XLogP4.36
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one?
The IUPAC name of 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one (CID 25212403) is 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one.
What is the SMILES notation for 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one?
The canonical SMILES for 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one is O=c1cc(Cn2c3ccccc3c3ccncc32)c2ccc(F)c(F)c2[nH]1.
What is the InChIKey of 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one?
The InChIKey is WWIXZKNJLKACBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F2N3O/c22-16-6-5-13-12(9-19(27)25-21(13)20(16)23)11-26-17-4-2-1-3-14(17)15-7-8-24-10-18(15)26/h1-10H,11H2,(H,25,27).
What are the key properties of 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one?
7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one has a molecular weight of 361.35 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-difluoro-4-(pyrido[3,4-b]indol-9-ylmethyl)-1H-quinolin-2-one is sourced from PubChem (CID 25212403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).