N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide

C22H15Cl2N3O3 — CID 163301011

IUPACN-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide
SMILESO=C(Nc1cccc2ncn(Cc3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C22H15Cl2N3O3/c23-15-9-14(10-16(24)20(15)28)21(29)26-18-8-4-7-17-19(18)22(30)27(12-25-17)11-13-5-2-1-3-6-13/h1-10,12,28H,11H2,(H,26,29)
InChIKeyPRQXIAYHPMEOGI-UHFFFAOYSA-N
MW440.29 g/mol
LogP4.71
Rot. Bonds4

About N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide

N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide (PubChem CID 163301011) has the molecular formula C22H15Cl2N3O3 and a molecular weight of 440.29 g/mol. Its IUPAC name is N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide.

Molecular Properties

Compound NameN-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide
PubChem CID163301011
Molecular FormulaC22H15Cl2N3O3
Molecular Weight440.29 g/mol
Exact Mass439.05
IUPAC NameN-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide
SMILESO=C(Nc1cccc2ncn(Cc3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1
InChIInChI=1S/C22H15Cl2N3O3/c23-15-9-14(10-16(24)20(15)28)21(29)26-18-8-4-7-17-19(18)22(30)27(12-25-17)11-13-5-2-1-3-6-13/h1-10,12,28H,11H2,(H,26,29)
InChIKeyPRQXIAYHPMEOGI-UHFFFAOYSA-N
XLogP4.71
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.29
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide?
The IUPAC name of N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide (CID 163301011) is N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide.
What is the SMILES notation for N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide?
The canonical SMILES for N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide is O=C(Nc1cccc2ncn(Cc3ccccc3)c(=O)c12)c1cc(Cl)c(O)c(Cl)c1.
What is the InChIKey of N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide?
The InChIKey is PRQXIAYHPMEOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2N3O3/c23-15-9-14(10-16(24)20(15)28)21(29)26-18-8-4-7-17-19(18)22(30)27(12-25-17)11-13-5-2-1-3-6-13/h1-10,12,28H,11H2,(H,26,29).
What are the key properties of N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide?
N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide has a molecular weight of 440.29 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-benzyl-4-oxoquinazolin-5-yl)-3,5-dichloro-4-hydroxybenzamide is sourced from PubChem (CID 163301011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).