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

C25H20N4O2 — CID 155321318

IUPAC(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
SMILESCc1c(-c2ccc3c(c2)/C(=C/c2cc4ccccc4[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C25H20N4O2/c1-14-20(13-27-25-23(14)26-8-9-31-25)15-6-7-22-18(11-15)19(24(30)29-22)12-17-10-16-4-2-3-5-21(16)28-17/h2-7,10-13,26,28H,8-9H2,1H3,(H,29,30)/b19-12-
InChIKeyKFVZXCHTNGIEQC-UNOMPAQXSA-N
MW408.46 g/mol
LogP4.84
Rot. Bonds2

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

(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one (PubChem CID 155321318) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
PubChem CID155321318
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one
SMILESCc1c(-c2ccc3c(c2)/C(=C/c2cc4ccccc4[nH]2)C(=O)N3)cnc2c1NCCO2
InChIInChI=1S/C25H20N4O2/c1-14-20(13-27-25-23(14)26-8-9-31-25)15-6-7-22-18(11-15)19(24(30)29-22)12-17-10-16-4-2-3-5-21(16)28-17/h2-7,10-13,26,28H,8-9H2,1H3,(H,29,30)/b19-12-
InChIKeyKFVZXCHTNGIEQC-UNOMPAQXSA-N
XLogP4.84
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-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 (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
The IUPAC name of (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one (CID 155321318) is (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one.
What is the SMILES notation for (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
The canonical SMILES for (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one is Cc1c(-c2ccc3c(c2)/C(=C/c2cc4ccccc4[nH]2)C(=O)N3)cnc2c1NCCO2.
What is the InChIKey of (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
The InChIKey is KFVZXCHTNGIEQC-UNOMPAQXSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-14-20(13-27-25-23(14)26-8-9-31-25)15-6-7-22-18(11-15)19(24(30)29-22)12-17-10-16-4-2-3-5-21(16)28-17/h2-7,10-13,26,28H,8-9H2,1H3,(H,29,30)/b19-12-.
What are the key properties of (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one?
(3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one has a molecular weight of 408.46 g/mol, XLogP of 4.84, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1H-indol-2-ylmethylidene)-5-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-1H-indol-2-one is sourced from PubChem (CID 155321318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).