N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide

C18H11Cl2N5O3 — CID 156757094

IUPACN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H11Cl2N5O3/c19-9-2-4-14-11(5-9)16(17(27)22-14)24-23-15(26)7-25-8-21-13-3-1-10(20)6-12(13)18(25)28/h1-6,8,22,27H,7H2/b24-23+
InChIKeyZINICNJHJKJNIU-WCWDXBQESA-N
MW416.22 g/mol
LogP4.20
Rot. Bonds3

About N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide

N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 156757094) has the molecular formula C18H11Cl2N5O3 and a molecular weight of 416.22 g/mol. Its IUPAC name is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID156757094
Molecular FormulaC18H11Cl2N5O3
Molecular Weight416.22 g/mol
Exact Mass415.02
IUPAC NameN-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccc(Cl)cc2c1=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C18H11Cl2N5O3/c19-9-2-4-14-11(5-9)16(17(27)22-14)24-23-15(26)7-25-8-21-13-3-1-10(20)6-12(13)18(25)28/h1-6,8,22,27H,7H2/b24-23+
InChIKeyZINICNJHJKJNIU-WCWDXBQESA-N
XLogP4.20
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.22
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide
CID 156757096
N,N'-bis[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]decanediamide
CID 4631655
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 8005577
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1193632
N-[(5-bromo-2-hydroxy-1H-indol-3-yl)imino]-2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetamide
CID 2240124
3-(2-bromoprop-2-enyl)-6-chloroquinazolin-4-one
CID 47357057
2-(6-chloro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8536635
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(2,5-dimethylphenoxy)acetamide
CID 135983081
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-[4-[(4-chlorophenyl)carbamoylamino]phenoxy]acetamide
CID 172640301
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]acetamide;N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-4-hydrazinyl-4-oxobutanamide
CID 135810853
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-3-(dimethylamino)benzamide
CID 135982620
6-chloro-3-[2-oxo-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethyl]quinazolin-4-one
CID 32692453

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide (CID 156757094) is N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccc(Cl)cc2c1=O)/N=N/c1c(O)[nH]c2ccc(Cl)cc12.
What is the InChIKey of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is ZINICNJHJKJNIU-WCWDXBQESA-N. The full InChI is InChI=1S/C18H11Cl2N5O3/c19-9-2-4-14-11(5-9)16(17(27)22-14)24-23-15(26)7-25-8-21-13-3-1-10(20)6-12(13)18(25)28/h1-6,8,22,27H,7H2/b24-23+.
What are the key properties of N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide?
N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 416.22 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 156757094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).