N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

C26H32N4O4S — CID 42982505

IUPACN-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCCn1c(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)nc2ccccc2c1=O
InChIInChI=1S/C26H32N4O4S/c1-33-14-7-12-30-25(32)22-10-5-6-11-23(22)28-26(30)35-19-24(31)27-16-21-18-29(13-15-34-21)17-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3,(H,27,31)
InChIKeyZUDSUPNJEJPUBT-UHFFFAOYSA-N
MW496.63 g/mol
LogP2.54
Rot. Bonds11

About N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide

N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (PubChem CID 42982505) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
PubChem CID42982505
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
SMILESCOCCCn1c(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)nc2ccccc2c1=O
InChIInChI=1S/C26H32N4O4S/c1-33-14-7-12-30-25(32)22-10-5-6-11-23(22)28-26(30)35-19-24(31)27-16-21-18-29(13-15-34-21)17-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3,(H,27,31)
InChIKeyZUDSUPNJEJPUBT-UHFFFAOYSA-N
XLogP2.54
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(oxolan-2-ylmethyl)-2-[4-oxo-3-[3-[4-oxo-2-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]sulfanylquinazolin-3-yl]propyl]quinazolin-2-yl]sulfanylacetamide
CID 46370314
N'-[2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]furan-2-carbohydrazide
CID 7803373
N-benzyl-2-[3-(2-morpholin-4-ylethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 4064442
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[[(2S)-4-benzylmorpholin-2-yl]methyl]acetamide
CID 8006468
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-(4-methoxyphenyl)acetamide
CID 39472023
2-[4-[2-[(4-benzylmorpholin-2-yl)methylamino]-2-oxoethyl]piperazin-1-yl]-N-(2-methoxyethyl)acetamide
CID 24574968
N-[[(2S)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 30035436
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 98684224
N-(3,4-dichlorophenyl)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 41059574
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-[(4-benzylmorpholin-2-yl)methyl]acetamide
CID 24578468
N-benzyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611271
3-[4-oxo-2-[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl]sulfanylquinazolin-3-yl]-N-(2-phenylethyl)propanamide
CID 92694655

Frequently Asked Questions

What is the IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The IUPAC name of N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide (CID 42982505) is N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide.
What is the SMILES notation for N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The canonical SMILES for N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is COCCCn1c(SCC(=O)NCC2CN(Cc3ccccc3)CCO2)nc2ccccc2c1=O.
What is the InChIKey of N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
The InChIKey is ZUDSUPNJEJPUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O4S/c1-33-14-7-12-30-25(32)22-10-5-6-11-23(22)28-26(30)35-19-24(31)27-16-21-18-29(13-15-34-21)17-20-8-3-2-4-9-20/h2-6,8-11,21H,7,12-19H2,1H3,(H,27,31).
What are the key properties of N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide?
N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide has a molecular weight of 496.63 g/mol, XLogP of 2.54, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzylmorpholin-2-yl)methyl]-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide is sourced from PubChem (CID 42982505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).