2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide

C22H34N4O2S — CID 40727739

IUPAC2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN(CC)CC
InChIInChI=1S/C22H34N4O2S/c1-5-11-17(4)23-20(27)16-29-22-24-19-13-9-8-12-18(19)21(28)26(22)15-10-14-25(6-2)7-3/h8-9,12-13,17H,5-7,10-11,14-16H2,1-4H3,(H,23,27)/t17-/m0/s1
InChIKeyZMPGDLLGYVYCEG-KRWDZBQOSA-N
MW418.61 g/mol
LogP3.53
Rot. Bonds12

About 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide

2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide (PubChem CID 40727739) has the molecular formula C22H34N4O2S and a molecular weight of 418.61 g/mol. Its IUPAC name is 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
PubChem CID40727739
Molecular FormulaC22H34N4O2S
Molecular Weight418.61 g/mol
Exact Mass418.24
IUPAC Name2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
SMILESCCC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN(CC)CC
InChIInChI=1S/C22H34N4O2S/c1-5-11-17(4)23-20(27)16-29-22-24-19-13-9-8-12-18(19)21(28)26(22)15-10-14-25(6-2)7-3/h8-9,12-13,17H,5-7,10-11,14-16H2,1-4H3,(H,23,27)/t17-/m0/s1
InChIKeyZMPGDLLGYVYCEG-KRWDZBQOSA-N
XLogP3.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 2608241
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
N-tert-butyl-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 9375437
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
N-[(2S)-butan-2-yl]-2-[3-[2-[2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]ethyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 98274736
2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylbutyl)acetamide
CID 55366134
2-[4-oxo-3-[(1S)-1-phenylethyl]quinazolin-2-yl]sulfanyl-N-[(2R)-pentan-2-yl]acetamide
CID 7500822
(2S)-2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylpropanamide
CID 9375533
2-(4-oxo-3-phenylquinazolin-2-yl)sulfanyl-N-pentan-2-ylacetamide
CID 3376172
N-butan-2-yl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 4813765
2-[3-[2-(cyclohexen-1-yl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 16544638

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
The IUPAC name of 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide (CID 40727739) is 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide.
What is the SMILES notation for 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
The canonical SMILES for 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide is CCC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCN(CC)CC.
What is the InChIKey of 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
The InChIKey is ZMPGDLLGYVYCEG-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H34N4O2S/c1-5-11-17(4)23-20(27)16-29-22-24-19-13-9-8-12-18(19)21(28)26(22)15-10-14-25(6-2)7-3/h8-9,12-13,17H,5-7,10-11,14-16H2,1-4H3,(H,23,27)/t17-/m0/s1.
What are the key properties of 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide?
2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide has a molecular weight of 418.61 g/mol, XLogP of 3.53, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(diethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide is sourced from PubChem (CID 40727739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).