N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

C17H14ClN3O3 — CID 21231739

IUPACN-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1c(Cl)cccc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O3/c1-24-16-12(18)6-4-8-14(16)20-15(22)9-21-10-19-13-7-3-2-5-11(13)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyDWDLISHAXAGSMJ-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.70
Rot. Bonds4

About N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 21231739) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID21231739
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOc1c(Cl)cccc1NC(=O)Cn1cnc2ccccc2c1=O
InChIInChI=1S/C17H14ClN3O3/c1-24-16-12(18)6-4-8-14(16)20-15(22)9-21-10-19-13-7-3-2-5-11(13)17(21)23/h2-8,10H,9H2,1H3,(H,20,22)
InChIKeyDWDLISHAXAGSMJ-UHFFFAOYSA-N
XLogP2.70
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloro-4-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874794
N-(2-methylsulfanylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 4808995
2-(4-oxoquinazolin-3-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 7741631
N-(2-chloro-5-fluorophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 51363052
N-(5-chloro-2-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 853101
N-[3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 47088820
2-(7-chloro-4-oxoquinazolin-3-yl)-N-(2-chlorophenyl)acetamide
CID 4193609
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-(2-methoxydibenzofuran-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2684570
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[2-(2-chlorophenoxy)phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573190
N-(2,5-dichlorophenyl)-2-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]acetamide
CID 9440401

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 21231739) is N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is COc1c(Cl)cccc1NC(=O)Cn1cnc2ccccc2c1=O.
What is the InChIKey of N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is DWDLISHAXAGSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c1-24-16-12(18)6-4-8-14(16)20-15(22)9-21-10-19-13-7-3-2-5-11(13)17(21)23/h2-8,10H,9H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 343.77 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 21231739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).