CID 87756550

C18H16AsClN2O — CID 87756550

IUPAC—
SMILESCCCCc1nc2cc(Cl)ccc2c(=O)n1-c1ccc([As])cc1
InChIInChI=1S/C18H16AsClN2O/c1-2-3-4-17-21-16-11-13(20)7-10-15(16)18(23)22(17)14-8-5-12(19)6-9-14/h5-11H,2-4H2,1H3
InChIKeyYVAWJDJBHRGOJY-UHFFFAOYSA-N
MW386.71 g/mol
LogP3.18
Rot. Bonds4

About CID 87756550

CID 87756550 (PubChem CID 87756550) has the molecular formula C18H16AsClN2O and a molecular weight of 386.71 g/mol.

Molecular Properties

Compound NameCID 87756550
PubChem CID87756550
Molecular FormulaC18H16AsClN2O
Molecular Weight386.71 g/mol
Exact Mass386.02
IUPAC Name—
SMILESCCCCc1nc2cc(Cl)ccc2c(=O)n1-c1ccc([As])cc1
InChIInChI=1S/C18H16AsClN2O/c1-2-3-4-17-21-16-11-13(20)7-10-15(16)18(23)22(17)14-8-5-12(19)6-9-14/h5-11H,2-4H2,1H3
InChIKeyYVAWJDJBHRGOJY-UHFFFAOYSA-N
XLogP3.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.71
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-[4-(2-butyl-4-oxoquinazolin-3-yl)phenyl]guanidine
CID 24989132
carbon dioxide;3-(4-ethylphenyl)-7-methyl-2-(5-oxodecyl)quinazolin-4-one
CID 159618472
3-(4-tert-butylphenyl)-7-methyl-2-(5-oxodecyl)quinazolin-4-one;carbon dioxide
CID 159340253
7-chloro-2-[(1R)-1-(ethylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 769847
[(1S)-1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-ethylazanium
CID 7493092
7-chloro-3-(4-chlorophenyl)-2-(2-oxopropylsulfanyl)quinazolin-4-one
CID 3500107
7-chloro-2-methylsulfanyl-3-pentylquinazolin-4-one
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7-chloro-2-[(1S)-1-(3-methylbutylamino)ethyl]-3-(4-methylphenyl)quinazolin-4-one
CID 1055158
4-butyl-N-[1-[7-chloro-3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-hexylbenzamide
CID 5106854
2-butyl-3-[4-[(1-tert-butylpyrrolidin-3-yl)amino]phenyl]quinazolin-4-one
CID 91476912

Frequently Asked Questions

What is the IUPAC name of CID 87756550?
The IUPAC name of CID 87756550 (CID 87756550) is not available.
What is the SMILES notation for CID 87756550?
The canonical SMILES for CID 87756550 is CCCCc1nc2cc(Cl)ccc2c(=O)n1-c1ccc([As])cc1.
What is the InChIKey of CID 87756550?
The InChIKey is YVAWJDJBHRGOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16AsClN2O/c1-2-3-4-17-21-16-11-13(20)7-10-15(16)18(23)22(17)14-8-5-12(19)6-9-14/h5-11H,2-4H2,1H3.
What are the key properties of CID 87756550?
CID 87756550 has a molecular weight of 386.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87756550 is sourced from PubChem (CID 87756550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).