3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

C20H23ClN4O2 — CID 91813692

IUPAC3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)N1CCc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C20H23ClN4O2/c21-17-3-1-2-15(12-17)4-5-19(26)25-7-6-16-13-22-20(23-18(16)14-25)24-8-10-27-11-9-24/h1-3,12-13H,4-11,14H2
InChIKeyOPNJYOPJDHOJPZ-UHFFFAOYSA-N
MW386.88 g/mol
LogP2.48
Rot. Bonds4

About 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one

3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one (PubChem CID 91813692) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
PubChem CID91813692
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC Name3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one
SMILESO=C(CCc1cccc(Cl)c1)N1CCc2cnc(N3CCOCC3)nc2C1
InChIInChI=1S/C20H23ClN4O2/c21-17-3-1-2-15(12-17)4-5-19(26)25-7-6-16-13-22-20(23-18(16)14-25)24-8-10-27-11-9-24/h1-3,12-13H,4-11,14H2
InChIKeyOPNJYOPJDHOJPZ-UHFFFAOYSA-N
XLogP2.48
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one (CID 91813692) is 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one is O=C(CCc1cccc(Cl)c1)N1CCc2cnc(N3CCOCC3)nc2C1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
The InChIKey is OPNJYOPJDHOJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c21-17-3-1-2-15(12-17)4-5-19(26)25-7-6-16-13-22-20(23-18(16)14-25)24-8-10-27-11-9-24/h1-3,12-13H,4-11,14H2.
What are the key properties of 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one?
3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one has a molecular weight of 386.88 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propan-1-one is sourced from PubChem (CID 91813692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).