N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide

C17H14ClN3O3 — CID 25159235

IUPACN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C17H14ClN3O3/c18-12-3-1-11(2-4-12)8-21-10-19-15-6-5-13(20-16(23)9-22)7-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)
InChIKeyWYCXEKKLBAECDV-UHFFFAOYSA-N
MW343.77 g/mol
LogP2.03
Rot. Bonds4

About N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide

N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide (PubChem CID 25159235) has the molecular formula C17H14ClN3O3 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
PubChem CID25159235
Molecular FormulaC17H14ClN3O3
Molecular Weight343.77 g/mol
Exact Mass343.07
IUPAC NameN-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide
SMILESO=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1
InChIInChI=1S/C17H14ClN3O3/c18-12-3-1-11(2-4-12)8-21-10-19-15-6-5-13(20-16(23)9-22)7-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23)
InChIKeyWYCXEKKLBAECDV-UHFFFAOYSA-N
XLogP2.03
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(E)-2-(4-chlorophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 5735236
2-Chloro-N-{12-oxo-6H,7H,8H,9H,10H,12H-azepino[2,1-B]quinazolin-2-YL}benzamide
CID 4259169
N-(3-(biphenyl-3-ylmethyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide
CID 25155079
N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide
CID 25158453
N-(3-(3,4-dichlorobenzyl)-4-oxo-3,4-dihydroquinazolin-7-yl)-2-hydroxyacetamide
CID 25158717
N-(3-(4-chloro-3-(trifluoromethyl)benzyl)-4-oxo-3,4-dihydroquinazolin-6-yl)-2-hydroxyacetamide
CID 25159237
2-(3-(3,4-Dichlorobenzyl)-4-oxo-3,4-dihydroquinazolin-6-ylamino)-2-oxoacetic acid
CID 44574768
6-Amino-3-(4-chloro-benzyl)-2-methyl-3H-quinazolin-4-one
CID 651767
N-[3-(4-Chloro-benzyl)-2-methyl-4-oxo-3,4-dihydro-quinazolin-6-yl]-acetamide
CID 1456564
N-[3-[(4-chlorophenyl)methyl]-4-oxo-2-propylquinazolin-6-yl]acetamide
CID 1456603
N-[3-[(4-chlorophenyl)methyl]-2-cyclopropyl-4-oxoquinazolin-6-yl]acetamide
CID 1456617
[2-(4-Chloroanilino)-2-oxoethyl] 2-(4-oxoquinazolin-3-yl)acetate
CID 2490893

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The IUPAC name of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide (CID 25159235) is N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide is O=C(CO)Nc1ccc2ncn(Cc3ccc(Cl)cc3)c(=O)c2c1.
What is the InChIKey of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
The InChIKey is WYCXEKKLBAECDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O3/c18-12-3-1-11(2-4-12)8-21-10-19-15-6-5-13(20-16(23)9-22)7-14(15)17(21)24/h1-7,10,22H,8-9H2,(H,20,23).
What are the key properties of N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide?
N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide has a molecular weight of 343.77 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorophenyl)methyl]-4-oxoquinazolin-6-yl]-2-hydroxyacetamide is sourced from PubChem (CID 25159235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).