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

C24H23ClN4O3 — CID 42855427

IUPAC(4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1
InChIInChI=1S/C24H23ClN4O3/c25-18-8-6-17(7-9-18)23(30)29-11-10-21-20(16-29)22(32-19-4-2-1-3-5-19)27-24(26-21)28-12-14-31-15-13-28/h1-9H,10-16H2
InChIKeyZYIVDKJCOMVTGU-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.96
Rot. Bonds4

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

(4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (PubChem CID 42855427) has the molecular formula C24H23ClN4O3 and a molecular weight of 450.93 g/mol. Its IUPAC name is (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
PubChem CID42855427
Molecular FormulaC24H23ClN4O3
Molecular Weight450.93 g/mol
Exact Mass450.15
IUPAC Name(4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
SMILESO=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1
InChIInChI=1S/C24H23ClN4O3/c25-18-8-6-17(7-9-18)23(30)29-11-10-21-20(16-29)22(32-19-4-2-1-3-5-19)27-24(26-21)28-12-14-31-15-13-28/h1-9H,10-16H2
InChIKeyZYIVDKJCOMVTGU-UHFFFAOYSA-N
XLogP3.96
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone with MolForge

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Related Compounds

(4-chlorophenyl)-[4-(4-fluorophenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050291
1-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42871127
[4-(3,4-difluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-fluorophenyl)methanone
CID 46073455
[4-(4-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(4-nitrophenyl)methanone
CID 46050332
[4-(3-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 42871071
furan-3-yl-[4-(3-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871211
(3,5-dimethoxyphenyl)-[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871255
[4-(4-methylphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-thiophen-2-ylmethanone
CID 46050324
(2,6-difluorophenyl)-[4-(2-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46073623
[4-(4-fluoro-3-methylphenoxy)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-phenylmethanone
CID 46073538
[4-(2-methoxyphenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-(3-methylphenyl)methanone
CID 46073619
(2-chlorophenyl)-[4-(4-methylphenoxy)-2-pyrrolidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42855415

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone (CID 42855427) is (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is O=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCOCC3)nc(Oc3ccccc3)c2C1.
What is the InChIKey of (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
The InChIKey is ZYIVDKJCOMVTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O3/c25-18-8-6-17(7-9-18)23(30)29-11-10-21-20(16-29)22(32-19-4-2-1-3-5-19)27-24(26-21)28-12-14-31-15-13-28/h1-9H,10-16H2.
What are the key properties of (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone?
(4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone has a molecular weight of 450.93 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone is sourced from PubChem (CID 42855427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).