N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide

C22H25N3O3S — CID 90610934

IUPACN-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C22H25N3O3S/c26-21(8-11-24-16-23-20-6-2-1-5-19(20)22(24)27)25(17-9-13-28-14-10-17)12-7-18-4-3-15-29-18/h1-6,15-17H,7-14H2
InChIKeyBVXSISURADLBBB-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.10
Rot. Bonds7

About N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide

N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide (PubChem CID 90610934) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
PubChem CID90610934
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC NameN-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide
SMILESO=C(CCn1cnc2ccccc2c1=O)N(CCc1cccs1)C1CCOCC1
InChIInChI=1S/C22H25N3O3S/c26-21(8-11-24-16-23-20-6-2-1-5-19(20)22(24)27)25(17-9-13-28-14-10-17)12-7-18-4-3-15-29-18/h1-6,15-17H,7-14H2
InChIKeyBVXSISURADLBBB-UHFFFAOYSA-N
XLogP3.10
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The IUPAC name of N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide (CID 90610934) is N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide.
What is the SMILES notation for N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The canonical SMILES for N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide is O=C(CCn1cnc2ccccc2c1=O)N(CCc1cccs1)C1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide?
The InChIKey is BVXSISURADLBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c26-21(8-11-24-16-23-20-6-2-1-5-19(20)22(24)27)25(17-9-13-28-14-10-17)12-7-18-4-3-15-29-18/h1-6,15-17H,7-14H2.
What are the key properties of N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide?
N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide has a molecular weight of 411.53 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-(4-oxoquinazolin-3-yl)-N-(2-thiophen-2-ylethyl)propanamide is sourced from PubChem (CID 90610934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).