2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid

C19H14N4O4 — CID 138963536

IUPAC2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C/N=C1\c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C19H14N4O4/c24-15(20-10-16(25)26)9-21-17-12-6-2-4-8-14(12)23-18(17)22-13-7-3-1-5-11(13)19(23)27/h1-8H,9-10H2,(H,20,24)(H,25,26)/b21-17+
InChIKeyPBJAQFGAIKFKFQ-HEHNFIMWSA-N
MW362.35 g/mol
LogP0.74
Rot. Bonds4

About 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid

2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid (PubChem CID 138963536) has the molecular formula C19H14N4O4 and a molecular weight of 362.35 g/mol. Its IUPAC name is 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid
PubChem CID138963536
Molecular FormulaC19H14N4O4
Molecular Weight362.35 g/mol
Exact Mass362.10
IUPAC Name2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C/N=C1\c2ccccc2-n2c1nc1ccccc1c2=O
InChIInChI=1S/C19H14N4O4/c24-15(20-10-16(25)26)9-21-17-12-6-2-4-8-14(12)23-18(17)22-13-7-3-1-5-11(13)19(23)27/h1-8H,9-10H2,(H,20,24)(H,25,26)/b21-17+
InChIKeyPBJAQFGAIKFKFQ-HEHNFIMWSA-N
XLogP0.74
TPSA113.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid (CID 138963536) is 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)C/N=C1\c2ccccc2-n2c1nc1ccccc1c2=O.
What is the InChIKey of 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid?
The InChIKey is PBJAQFGAIKFKFQ-HEHNFIMWSA-N. The full InChI is InChI=1S/C19H14N4O4/c24-15(20-10-16(25)26)9-21-17-12-6-2-4-8-14(12)23-18(17)22-13-7-3-1-5-11(13)19(23)27/h1-8H,9-10H2,(H,20,24)(H,25,26)/b21-17+.
What are the key properties of 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid?
2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid has a molecular weight of 362.35 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(12-oxoindolo[2,1-b]quinazolin-6-ylidene)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 138963536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).