N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C24H20ClN3O3 — CID 60552793

IUPACN-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cnc12
InChIInChI=1S/C24H20ClN3O3/c1-16-5-4-7-20-23(16)26-15-28(24(20)30)13-22(29)27-18-9-11-19(12-10-18)31-14-17-6-2-3-8-21(17)25/h2-12,15H,13-14H2,1H3,(H,27,29)
InChIKeyIJMBIFFEECHKRD-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.58
Rot. Bonds6

About N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 60552793) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID60552793
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cnc12
InChIInChI=1S/C24H20ClN3O3/c1-16-5-4-7-20-23(16)26-15-28(24(20)30)13-22(29)27-18-9-11-19(12-10-18)31-14-17-6-2-3-8-21(17)25/h2-12,15H,13-14H2,1H3,(H,27,29)
InChIKeyIJMBIFFEECHKRD-UHFFFAOYSA-N
XLogP4.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42123099
N-(3,4-dichlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27873306
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46671691
N-(5-acetamido-2-chlorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55916729
N-(4-chloro-3-nitrophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265865
N,N-diethyl-4-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 24529289
N-[3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 87026199
N-(5-methyl-1,2-oxazol-3-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27161523
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 27033610
methyl 4-chloro-3-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]benzoate
CID 31838386
N-(5-chloro-2-fluorophenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51265002

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 60552793) is N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)Nc3ccc(OCc4ccccc4Cl)cc3)cnc12.
What is the InChIKey of N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is IJMBIFFEECHKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c1-16-5-4-7-20-23(16)26-15-28(24(20)30)13-22(29)27-18-9-11-19(12-10-18)31-14-17-6-2-3-8-21(17)25/h2-12,15H,13-14H2,1H3,(H,27,29).
What are the key properties of N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 433.90 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 60552793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).