N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

C21H17ClN4O2S — CID 16612149

IUPACN-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1
InChIInChI=1S/C21H17ClN4O2S/c1-13-4-3-5-17(8-13)26(14(2)27)21-24-16(11-29-21)10-25-12-23-19-9-15(22)6-7-18(19)20(25)28/h3-9,11-12H,10H2,1-2H3
InChIKeyAVVWOABMFLMRNO-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.55
Rot. Bonds4

About N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide

N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (PubChem CID 16612149) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
PubChem CID16612149
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC NameN-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide
SMILESCC(=O)N(c1cccc(C)c1)c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1
InChIInChI=1S/C21H17ClN4O2S/c1-13-4-3-5-17(8-13)26(14(2)27)21-24-16(11-29-21)10-25-12-23-19-9-15(22)6-7-18(19)20(25)28/h3-9,11-12H,10H2,1-2H3
InChIKeyAVVWOABMFLMRNO-UHFFFAOYSA-N
XLogP4.55
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The IUPAC name of N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide (CID 16612149) is N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is CC(=O)N(c1cccc(C)c1)c1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1.
What is the InChIKey of N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
The InChIKey is AVVWOABMFLMRNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-13-4-3-5-17(8-13)26(14(2)27)21-24-16(11-29-21)10-25-12-23-19-9-15(22)6-7-18(19)20(25)28/h3-9,11-12H,10H2,1-2H3.
What are the key properties of N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide?
N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide has a molecular weight of 424.91 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloro-4-oxoquinazolin-3-yl)methyl]-1,3-thiazol-2-yl]-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 16612149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).