2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

C25H30N4O4S — CID 3236248

IUPAC2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C25H30N4O4S/c1-3-4-11-29-24(31)21-16-19(28-12-14-33-15-13-28)7-10-22(21)27-25(29)34-17-23(30)26-18-5-8-20(32-2)9-6-18/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,26,30)
InChIKeySRFKDQJYERYDRY-UHFFFAOYSA-N
MW482.61 g/mol
LogP3.77
Rot. Bonds9

About 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide

2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (PubChem CID 3236248) has the molecular formula C25H30N4O4S and a molecular weight of 482.61 g/mol. Its IUPAC name is 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
PubChem CID3236248
Molecular FormulaC25H30N4O4S
Molecular Weight482.61 g/mol
Exact Mass482.20
IUPAC Name2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide
SMILESCCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O
InChIInChI=1S/C25H30N4O4S/c1-3-4-11-29-24(31)21-16-19(28-12-14-33-15-13-28)7-10-22(21)27-25(29)34-17-23(30)26-18-5-8-20(32-2)9-6-18/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,26,30)
InChIKeySRFKDQJYERYDRY-UHFFFAOYSA-N
XLogP3.77
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.61
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide (CID 3236248) is 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O.
What is the InChIKey of 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
The InChIKey is SRFKDQJYERYDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4S/c1-3-4-11-29-24(31)21-16-19(28-12-14-33-15-13-28)7-10-22(21)27-25(29)34-17-23(30)26-18-5-8-20(32-2)9-6-18/h5-10,16H,3-4,11-15,17H2,1-2H3,(H,26,30).
What are the key properties of 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide?
2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide has a molecular weight of 482.61 g/mol, XLogP of 3.77, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butyl-6-morpholin-4-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3236248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).