2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one

C16H18N4OS — CID 2086939

IUPAC2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one
SMILESCc1csc(Cn2c(CN(C)C)nc3ccccc3c2=O)n1
InChIInChI=1S/C16H18N4OS/c1-11-10-22-15(17-11)9-20-14(8-19(2)3)18-13-7-5-4-6-12(13)16(20)21/h4-7,10H,8-9H2,1-3H3
InChIKeyUFMOVZJNLRWEKP-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.27
Rot. Bonds4

About 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one

2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one (PubChem CID 2086939) has the molecular formula C16H18N4OS and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one
PubChem CID2086939
Molecular FormulaC16H18N4OS
Molecular Weight314.41 g/mol
Exact Mass314.12
IUPAC Name2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one
SMILESCc1csc(Cn2c(CN(C)C)nc3ccccc3c2=O)n1
InChIInChI=1S/C16H18N4OS/c1-11-10-22-15(17-11)9-20-14(8-19(2)3)18-13-7-5-4-6-12(13)16(20)21/h4-7,10H,8-9H2,1-3H3
InChIKeyUFMOVZJNLRWEKP-UHFFFAOYSA-N
XLogP2.27
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one (CID 2086939) is 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one is Cc1csc(Cn2c(CN(C)C)nc3ccccc3c2=O)n1.
What is the InChIKey of 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one?
The InChIKey is UFMOVZJNLRWEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS/c1-11-10-22-15(17-11)9-20-14(8-19(2)3)18-13-7-5-4-6-12(13)16(20)21/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one?
2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one has a molecular weight of 314.41 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-3-[(4-methyl-1,3-thiazol-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 2086939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).