2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

C29H36F3N7O — CID 11455715

IUPAC2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C29H36F3N7O/c1-28(2)10-14-38(3)24-16-19(7-8-21(24)28)35-26-20-9-13-39(27-22(29(30,31)32)6-5-11-34-27)18-23(20)36-25(37-26)17-33-12-15-40-4/h5-8,11,16,33H,9-10,12-15,17-18H2,1-4H3,(H,35,36,37)
InChIKeyRQFLZVRKDBKHFB-UHFFFAOYSA-N
MW555.65 g/mol
LogP5.05
Rot. Bonds8

About 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine

2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (PubChem CID 11455715) has the molecular formula C29H36F3N7O and a molecular weight of 555.65 g/mol. Its IUPAC name is 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
PubChem CID11455715
Molecular FormulaC29H36F3N7O
Molecular Weight555.65 g/mol
Exact Mass555.29
IUPAC Name2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
SMILESCOCCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2
InChIInChI=1S/C29H36F3N7O/c1-28(2)10-14-38(3)24-16-19(7-8-21(24)28)35-26-20-9-13-39(27-22(29(30,31)32)6-5-11-34-27)18-23(20)36-25(37-26)17-33-12-15-40-4/h5-8,11,16,33H,9-10,12-15,17-18H2,1-4H3,(H,35,36,37)
InChIKeyRQFLZVRKDBKHFB-UHFFFAOYSA-N
XLogP5.05
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.65
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-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 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine (CID 11455715) is 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is COCCNCc1nc2c(c(Nc3ccc4c(c3)N(C)CCC4(C)C)n1)CCN(c1ncccc1C(F)(F)F)C2.
What is the InChIKey of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is RQFLZVRKDBKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N7O/c1-28(2)10-14-38(3)24-16-19(7-8-21(24)28)35-26-20-9-13-39(27-22(29(30,31)32)6-5-11-34-27)18-23(20)36-25(37-26)17-33-12-15-40-4/h5-8,11,16,33H,9-10,12-15,17-18H2,1-4H3,(H,35,36,37).
What are the key properties of 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine?
2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 555.65 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyethylamino)methyl]-7-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,4,4-trimethyl-2,3-dihydroquinolin-7-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 11455715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).