(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C21H17FN4O2 — CID 155321298

IUPAC(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C21H17FN4O2/c1-11-16(10-25-21-18(11)24-5-6-28-21)12-7-14-15(9-13-3-2-4-23-13)20(27)26-19(14)17(22)8-12/h2-4,7-10,23-24H,5-6H2,1H3,(H,26,27)/b15-9-
InChIKeyDOGUBILWZOKCQC-DHDCSXOGSA-N
MW376.39 g/mol
LogP3.82
Rot. Bonds2

About (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 155321298) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID155321298
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Name(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESCc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C21H17FN4O2/c1-11-16(10-25-21-18(11)24-5-6-28-21)12-7-14-15(9-13-3-2-4-23-13)20(27)26-19(14)17(22)8-12/h2-4,7-10,23-24H,5-6H2,1H3,(H,26,27)/b15-9-
InChIKeyDOGUBILWZOKCQC-DHDCSXOGSA-N
XLogP3.82
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 155321298) is (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is Cc1c(-c2cc(F)c3c(c2)/C(=C/c2ccc[nH]2)C(=O)N3)cnc2c1NCCO2.
What is the InChIKey of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is DOGUBILWZOKCQC-DHDCSXOGSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-11-16(10-25-21-18(11)24-5-6-28-21)12-7-14-15(9-13-3-2-4-23-13)20(27)26-19(14)17(22)8-12/h2-4,7-10,23-24H,5-6H2,1H3,(H,26,27)/b15-9-.
What are the key properties of (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 376.39 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-7-fluoro-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 155321298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).