6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one

C25H23ClN4O3S — CID 11994136

IUPAC6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NCC(CN1CCOCC1)O2
InChIInChI=1S/C25H23ClN4O3S/c26-17-3-1-16(2-4-17)23-12-21-24(34-23)25(31)30(15-28-21)18-5-6-22-20(11-18)27-13-19(33-22)14-29-7-9-32-10-8-29/h1-6,11-12,15,19,27H,7-10,13-14H2
InChIKeyYIBPPXKCYWGKQV-UHFFFAOYSA-N
MW495.00 g/mol
LogP4.27
Rot. Bonds4

About 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one

6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 11994136) has the molecular formula C25H23ClN4O3S and a molecular weight of 495.00 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one
PubChem CID11994136
Molecular FormulaC25H23ClN4O3S
Molecular Weight495.00 g/mol
Exact Mass494.12
IUPAC Name6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one
SMILESO=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NCC(CN1CCOCC1)O2
InChIInChI=1S/C25H23ClN4O3S/c26-17-3-1-16(2-4-17)23-12-21-24(34-23)25(31)30(15-28-21)18-5-6-22-20(11-18)27-13-19(33-22)14-29-7-9-32-10-8-29/h1-6,11-12,15,19,27H,7-10,13-14H2
InChIKeyYIBPPXKCYWGKQV-UHFFFAOYSA-N
XLogP4.27
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.00
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one (CID 11994136) is 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one is O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2c(c1)NCC(CN1CCOCC1)O2.
What is the InChIKey of 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YIBPPXKCYWGKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN4O3S/c26-17-3-1-16(2-4-17)23-12-21-24(34-23)25(31)30(15-28-21)18-5-6-22-20(11-18)27-13-19(33-22)14-29-7-9-32-10-8-29/h1-6,11-12,15,19,27H,7-10,13-14H2.
What are the key properties of 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one?
6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 495.00 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-3-[2-(morpholin-4-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 11994136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).