8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine

C20H18ClF2N5O2 — CID 178009493

IUPAC8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine
SMILESC/C(=C\Oc1cnc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)N1CCOCC1
InChIInChI=1S/C20H18ClF2N5O2/c1-11(28-4-6-29-7-5-28)9-30-14-8-25-18(19-15(14)20(24)27-10-26-19)12-2-3-13(22)16(21)17(12)23/h2-3,8-10H,4-7H2,1H3,(H2,24,26,27)/b11-9+
InChIKeyKTKPKKYCKWEQSV-PKNBQFBNSA-N
MW433.85 g/mol
LogP3.78
Rot. Bonds4

About 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine

8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 178009493) has the molecular formula C20H18ClF2N5O2 and a molecular weight of 433.85 g/mol. Its IUPAC name is 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine
PubChem CID178009493
Molecular FormulaC20H18ClF2N5O2
Molecular Weight433.85 g/mol
Exact Mass433.11
IUPAC Name8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine
SMILESC/C(=C\Oc1cnc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)N1CCOCC1
InChIInChI=1S/C20H18ClF2N5O2/c1-11(28-4-6-29-7-5-28)9-30-14-8-25-18(19-15(14)20(24)27-10-26-19)12-2-3-13(22)16(21)17(12)23/h2-3,8-10H,4-7H2,1H3,(H2,24,26,27)/b11-9+
InChIKeyKTKPKKYCKWEQSV-PKNBQFBNSA-N
XLogP3.78
TPSA86.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine 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 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine (CID 178009493) is 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine is C/C(=C\Oc1cnc(-c2ccc(F)c(Cl)c2F)c2ncnc(N)c12)N1CCOCC1.
What is the InChIKey of 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is KTKPKKYCKWEQSV-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H18ClF2N5O2/c1-11(28-4-6-29-7-5-28)9-30-14-8-25-18(19-15(14)20(24)27-10-26-19)12-2-3-13(22)16(21)17(12)23/h2-3,8-10H,4-7H2,1H3,(H2,24,26,27)/b11-9+.
What are the key properties of 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine?
8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 433.85 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-2,4-difluorophenyl)-5-[(E)-2-morpholin-4-ylprop-1-enoxy]pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 178009493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).