N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide

C18H12ClN5O3 — CID 156757096

IUPACN-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)/N=N/c1c(O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C18H12ClN5O3/c19-12-6-3-5-11-15(12)21-17(26)16(11)23-22-14(25)8-24-9-20-13-7-2-1-4-10(13)18(24)27/h1-7,9,21,26H,8H2/b23-22+
InChIKeyNROFMTNJFOHMMH-GHVJWSGMSA-N
MW381.78 g/mol
LogP3.55
Rot. Bonds3

About N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 156757096) has the molecular formula C18H12ClN5O3 and a molecular weight of 381.78 g/mol. Its IUPAC name is N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID156757096
Molecular FormulaC18H12ClN5O3
Molecular Weight381.78 g/mol
Exact Mass381.06
IUPAC NameN-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)/N=N/c1c(O)[nH]c2c(Cl)cccc12
InChIInChI=1S/C18H12ClN5O3/c19-12-6-3-5-11-15(12)21-17(26)16(11)23-22-14(25)8-24-9-20-13-7-2-1-4-10(13)18(24)27/h1-7,9,21,26H,8H2/b23-22+
InChIKeyNROFMTNJFOHMMH-GHVJWSGMSA-N
XLogP3.55
TPSA112.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.78
LogP ≤ 53.55
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-[(5-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(6-chloro-4-oxoquinazolin-3-yl)acetamide
CID 156757094
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide
CID 1193632
N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 21231739
3-(3-methyl-2-oxobutyl)quinazolin-4-one
CID 78949362
3-[2-(2,5-dichlorophenyl)-2-oxoethyl]quinazolin-4-one
CID 17436537
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-[(2-hydroxy-1H-indol-3-yl)imino]-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl]acetamide
CID 1045419
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-chloroethyl)quinazolin-4-one
CID 4518743

Frequently Asked Questions

What is the IUPAC name of N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide (CID 156757096) is N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)/N=N/c1c(O)[nH]c2c(Cl)cccc12.
What is the InChIKey of N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NROFMTNJFOHMMH-GHVJWSGMSA-N. The full InChI is InChI=1S/C18H12ClN5O3/c19-12-6-3-5-11-15(12)21-17(26)16(11)23-22-14(25)8-24-9-20-13-7-2-1-4-10(13)18(24)27/h1-7,9,21,26H,8H2/b23-22+.
What are the key properties of N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.78 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-chloro-2-hydroxy-1H-indol-3-yl)imino]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 156757096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).