2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

C16H21N3O2S — CID 135455066

IUPAC2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C16H21N3O2S/c1-10(2)19(11(3)4)14(20)9-22-16-17-13-8-6-5-7-12(13)15(21)18-16/h5-8,10-11H,9H2,1-4H3,(H,17,18,21)
InChIKeyBZKIUEYDBSXSTM-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.66
Rot. Bonds5

About 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide

2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (PubChem CID 135455066) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
PubChem CID135455066
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide
SMILESCC(C)N(C(=O)CSc1nc2ccccc2c(=O)[nH]1)C(C)C
InChIInChI=1S/C16H21N3O2S/c1-10(2)19(11(3)4)14(20)9-22-16-17-13-8-6-5-7-12(13)15(21)18-16/h5-8,10-11H,9H2,1-4H3,(H,17,18,21)
InChIKeyBZKIUEYDBSXSTM-UHFFFAOYSA-N
XLogP2.66
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Propoxy-3-propyl-4(3H)-quinazolinone
CID 11770728
ME0328
CID 135566764
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
3-Ethyl-4-quinazolinone
CID 63385
2,3-Dimethyl-4(3H)-quinazolinone
CID 64018
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
(4-Hydroxy-quinazolin-2-ylsulfanyl)-acetic acid
CID 135409719
Bis-quinazolinone 5
CID 145996538
Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369

Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide (CID 135455066) is 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is CC(C)N(C(=O)CSc1nc2ccccc2c(=O)[nH]1)C(C)C.
What is the InChIKey of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
The InChIKey is BZKIUEYDBSXSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-10(2)19(11(3)4)14(20)9-22-16-17-13-8-6-5-7-12(13)15(21)18-16/h5-8,10-11H,9H2,1-4H3,(H,17,18,21).
What are the key properties of 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide?
2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide has a molecular weight of 319.43 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 135455066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).