N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide

C14H21N3O2S — CID 135713613

IUPACN,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C14H21N3O2S/c1-3-17(4-2)12(18)9-20-14-15-11-8-6-5-7-10(11)13(19)16-14/h3-9H2,1-2H3,(H,15,16,19)
InChIKeyBPEJZNPNAFLWJX-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.61
Rot. Bonds5

About N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide

N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide (PubChem CID 135713613) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
PubChem CID135713613
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC NameN,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide
SMILESCCN(CC)C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C14H21N3O2S/c1-3-17(4-2)12(18)9-20-14-15-11-8-6-5-7-10(11)13(19)16-14/h3-9H2,1-2H3,(H,15,16,19)
InChIKeyBPEJZNPNAFLWJX-UHFFFAOYSA-N
XLogP1.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The IUPAC name of N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide (CID 135713613) is N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide is CCN(CC)C(=O)CSc1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
The InChIKey is BPEJZNPNAFLWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-3-17(4-2)12(18)9-20-14-15-11-8-6-5-7-10(11)13(19)16-14/h3-9H2,1-2H3,(H,15,16,19).
What are the key properties of N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide?
N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 135713613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).