N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide

C25H38N4O2S — CID 4625346

IUPACN-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCC(C)CC1
InChIInChI=1S/C25H38N4O2S/c1-4-6-15-28(5-2)23(30)19-32-25-26-22-11-8-7-10-21(22)24(31)29(25)16-9-14-27-17-12-20(3)13-18-27/h7-8,10-11,20H,4-6,9,12-19H2,1-3H3
InChIKeyAEKJBTHUGOTUCB-UHFFFAOYSA-N
MW458.67 g/mol
LogP4.26
Rot. Bonds11

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

N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 4625346) has the molecular formula C25H38N4O2S and a molecular weight of 458.67 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID4625346
Molecular FormulaC25H38N4O2S
Molecular Weight458.67 g/mol
Exact Mass458.27
IUPAC NameN-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCC(C)CC1
InChIInChI=1S/C25H38N4O2S/c1-4-6-15-28(5-2)23(30)19-32-25-26-22-11-8-7-10-21(22)24(31)29(25)16-9-14-27-17-12-20(3)13-18-27/h7-8,10-11,20H,4-6,9,12-19H2,1-3H3
InChIKeyAEKJBTHUGOTUCB-UHFFFAOYSA-N
XLogP4.26
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.67
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(cyclopropylmethyl)-N-methylacetamide
CID 55847606
N,N-diethyl-2-[4-oxo-3-(2-phenylethyl)quinazolin-2-yl]sulfanylacetamide
CID 1155414
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-[3-[2-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]propyl]quinazolin-4-one
CID 99669402
N,N-diethyl-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 1432178
N-methyl-N-(4-methylcyclohexyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylacetamide
CID 42156152
2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 2595117
2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(1R)-1-phenylethyl]acetamide
CID 7455033
2-(7-chloro-4-oxo-3-pentylquinazolin-2-yl)sulfanyl-N,N-diethylacetamide
CID 112777902
N-[(2R)-butan-2-yl]-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 7856748
N,N-dicyclohexyl-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 3181435
N-(cyanomethyl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanyl-N-phenylacetamide
CID 29432257
N-[(3S)-1,1-dioxothiolan-3-yl]-N-ethyl-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329765

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 4625346) is N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CCCN1CCC(C)CC1.
What is the InChIKey of N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is AEKJBTHUGOTUCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N4O2S/c1-4-6-15-28(5-2)23(30)19-32-25-26-22-11-8-7-10-21(22)24(31)29(25)16-9-14-27-17-12-20(3)13-18-27/h7-8,10-11,20H,4-6,9,12-19H2,1-3H3.
What are the key properties of N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 458.67 g/mol, XLogP of 4.26, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-[3-[3-(4-methylpiperidin-1-yl)propyl]-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 4625346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).