N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

C25H19N5O5 — CID 172990739

IUPACN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C25H19N5O5/c1-34-20-12-14(23-26-18-9-5-3-7-16(18)24(32)28-23)10-11-19(20)35-13-21(31)29-30-22-15-6-2-4-8-17(15)27-25(22)33/h2-12,27,33H,13H2,1H3,(H,26,28,32)/b30-29+
InChIKeyWLIMOUPRISKPJJ-QVIHXGFCSA-N
MW469.46 g/mol
LogP4.47
Rot. Bonds6

About N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide

N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (PubChem CID 172990739) has the molecular formula C25H19N5O5 and a molecular weight of 469.46 g/mol. Its IUPAC name is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
PubChem CID172990739
Molecular FormulaC25H19N5O5
Molecular Weight469.46 g/mol
Exact Mass469.14
IUPAC NameN-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
SMILESCOc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccccc12
InChIInChI=1S/C25H19N5O5/c1-34-20-12-14(23-26-18-9-5-3-7-16(18)24(32)28-23)10-11-19(20)35-13-21(31)29-30-22-15-6-2-4-8-17(15)27-25(22)33/h2-12,27,33H,13H2,1H3,(H,26,28,32)/b30-29+
InChIKeyWLIMOUPRISKPJJ-QVIHXGFCSA-N
XLogP4.47
TPSA142.02 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 166593558
2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]-N-(2-phenylethyl)acetamide
CID 168552478
N-(4-bromophenyl)-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 168551679
N-(4-fluorophenyl)-2-[2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide
CID 155550888
2-(2,4-dimethylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 3504473
3-[[2-(3,4-dimethoxyphenyl)quinazolin-4-yl]diazenyl]-1H-indol-2-ol
CID 137290352
2-(2-bromo-4-tert-butylphenoxy)-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
CID 4922230
2-[2-bromo-6-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetic acid
CID 135402375
methyl 2-methoxy-5-(4-oxo-3H-quinazolin-2-yl)benzoate
CID 168550749
2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3H-quinazolin-4-one
CID 168552193
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The IUPAC name of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide (CID 172990739) is N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The canonical SMILES for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)/N=N/c1c(O)[nH]c2ccccc12.
What is the InChIKey of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
The InChIKey is WLIMOUPRISKPJJ-QVIHXGFCSA-N. The full InChI is InChI=1S/C25H19N5O5/c1-34-20-12-14(23-26-18-9-5-3-7-16(18)24(32)28-23)10-11-19(20)35-13-21(31)29-30-22-15-6-2-4-8-17(15)27-25(22)33/h2-12,27,33H,13H2,1H3,(H,26,28,32)/b30-29+.
What are the key properties of N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide?
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide has a molecular weight of 469.46 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[2-methoxy-4-(4-oxo-3H-quinazolin-2-yl)phenoxy]acetamide is sourced from PubChem (CID 172990739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).