4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide

C22H17ClN3O3+ — CID 78577592

IUPAC4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide
SMILESCOc1cccc(-c2[nH+]c3ccccc3c(=O)n2NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H16ClN3O3/c1-29-17-6-4-5-15(13-17)20-24-19-8-3-2-7-18(19)22(28)26(20)25-21(27)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,25,27)/p+1
InChIKeyZXJFXTYQZYFOLC-UHFFFAOYSA-O
MW406.85 g/mol
LogP3.53
Rot. Bonds4

About 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide

4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide (PubChem CID 78577592) has the molecular formula C22H17ClN3O3+ and a molecular weight of 406.85 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide
PubChem CID78577592
Molecular FormulaC22H17ClN3O3+
Molecular Weight406.85 g/mol
Exact Mass406.10
IUPAC Name4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide
SMILESCOc1cccc(-c2[nH+]c3ccccc3c(=O)n2NC(=O)c2ccc(Cl)cc2)c1
InChIInChI=1S/C22H16ClN3O3/c1-29-17-6-4-5-15(13-17)20-24-19-8-3-2-7-18(19)22(28)26(20)25-21(27)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,25,27)/p+1
InChIKeyZXJFXTYQZYFOLC-UHFFFAOYSA-O
XLogP3.53
TPSA74.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.85
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23994102
N-(3-amino-1-oxoisoquinolin-2-yl)-4-methoxybenzamide
CID 172653640
N-[2-(3-methoxyphenyl)-4-oxoquinazolin-3-yl]-3-methyl-4-nitrobenzamide
CID 23989138
N-[2-(4-methylphenyl)-4-oxoquinazolin-1-ium-3-yl]thiophene-2-carboxamide
CID 78577550
3-methoxy-N-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzamide
CID 804987
4-tert-butyl-N-[2-(3,5-dimethoxyphenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23851582
4-chloro-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2799994
4-chloro-N-(2,5-diphenylpyrrol-1-yl)benzamide
CID 134096030
N-[3-(3-chlorophenyl)-5-(3-methoxyphenyl)-7-oxo-1H-pyrazolo[4,3-d]pyrimidin-6-yl]pyridine-3-carboxamide
CID 142699472
4-chloro-N-[3-[(3-methoxyphenyl)methylamino]-3-oxopropyl]benzamide
CID 9495839
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
3-chloro-N-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]benzamide
CID 23909571

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide (CID 78577592) is 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide is COc1cccc(-c2[nH+]c3ccccc3c(=O)n2NC(=O)c2ccc(Cl)cc2)c1.
What is the InChIKey of 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide?
The InChIKey is ZXJFXTYQZYFOLC-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H16ClN3O3/c1-29-17-6-4-5-15(13-17)20-24-19-8-3-2-7-18(19)22(28)26(20)25-21(27)14-9-11-16(23)12-10-14/h2-13H,1H3,(H,25,27)/p+1.
What are the key properties of 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide?
4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide has a molecular weight of 406.85 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(3-methoxyphenyl)-4-oxoquinazolin-1-ium-3-yl]benzamide is sourced from PubChem (CID 78577592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).