2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide

C22H32N4O2S — CID 42735163

IUPAC2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
SMILESCCn1c(SC(C)C(=O)NCCCN2CCCCC2C)nc2ccccc2c1=O
InChIInChI=1S/C22H32N4O2S/c1-4-26-21(28)18-11-5-6-12-19(18)24-22(26)29-17(3)20(27)23-13-9-15-25-14-8-7-10-16(25)2/h5-6,11-12,16-17H,4,7-10,13-15H2,1-3H3,(H,23,27)
InChIKeyOHYZTMQWMBSVLD-UHFFFAOYSA-N
MW416.59 g/mol
LogP3.28
Rot. Bonds8

About 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide

2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 42735163) has the molecular formula C22H32N4O2S and a molecular weight of 416.59 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
PubChem CID42735163
Molecular FormulaC22H32N4O2S
Molecular Weight416.59 g/mol
Exact Mass416.22
IUPAC Name2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide
SMILESCCn1c(SC(C)C(=O)NCCCN2CCCCC2C)nc2ccccc2c1=O
InChIInChI=1S/C22H32N4O2S/c1-4-26-21(28)18-11-5-6-12-19(18)24-22(26)29-17(3)20(27)23-13-9-15-25-14-8-7-10-16(25)2/h5-6,11-12,16-17H,4,7-10,13-15H2,1-3H3,(H,23,27)
InChIKeyOHYZTMQWMBSVLD-UHFFFAOYSA-N
XLogP3.28
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.59
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876016
N-cyclopentyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 18777264
(2S)-N-cyclopropyl-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7876048
(2S)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2,2,2-trifluoroethyl)propanamide
CID 37148615
(2S)-N-cyclopentyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 9329750
2-(4-ethyl-3-oxoquinoxalin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]acetamide
CID 50780952
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 11939252
(2R)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603417
(2S)-N-ethyl-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 8603418
(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674923
(2S)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674922

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide (CID 42735163) is 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide is CCn1c(SC(C)C(=O)NCCCN2CCCCC2C)nc2ccccc2c1=O.
What is the InChIKey of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is OHYZTMQWMBSVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O2S/c1-4-26-21(28)18-11-5-6-12-19(18)24-22(26)29-17(3)20(27)23-13-9-15-25-14-8-7-10-16(25)2/h5-6,11-12,16-17H,4,7-10,13-15H2,1-3H3,(H,23,27).
What are the key properties of 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide?
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 416.59 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 42735163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).