N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

C24H20F3N5 — CID 11385011

IUPACN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCN1CCc2ccc(Nc3ncnc4cc(-c5ncccc5C(F)(F)F)ccc34)cc2C1
InChIInChI=1S/C24H20F3N5/c1-32-10-8-15-4-6-18(11-17(15)13-32)31-23-19-7-5-16(12-21(19)29-14-30-23)22-20(24(25,26)27)3-2-9-28-22/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,29,30,31)
InChIKeyYAHHZLFMPQHGQK-UHFFFAOYSA-N
MW435.45 g/mol
LogP5.44
Rot. Bonds3

About N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine

N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (PubChem CID 11385011) has the molecular formula C24H20F3N5 and a molecular weight of 435.45 g/mol. Its IUPAC name is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
PubChem CID11385011
Molecular FormulaC24H20F3N5
Molecular Weight435.45 g/mol
Exact Mass435.17
IUPAC NameN-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine
SMILESCN1CCc2ccc(Nc3ncnc4cc(-c5ncccc5C(F)(F)F)ccc34)cc2C1
InChIInChI=1S/C24H20F3N5/c1-32-10-8-15-4-6-18(11-17(15)13-32)31-23-19-7-5-16(12-21(19)29-14-30-23)22-20(24(25,26)27)3-2-9-28-22/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,29,30,31)
InChIKeyYAHHZLFMPQHGQK-UHFFFAOYSA-N
XLogP5.44
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.45
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine (CID 11385011) is N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is CN1CCc2ccc(Nc3ncnc4cc(-c5ncccc5C(F)(F)F)ccc34)cc2C1.
What is the InChIKey of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
The InChIKey is YAHHZLFMPQHGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5/c1-32-10-8-15-4-6-18(11-17(15)13-32)31-23-19-7-5-16(12-21(19)29-14-30-23)22-20(24(25,26)27)3-2-9-28-22/h2-7,9,11-12,14H,8,10,13H2,1H3,(H,29,30,31).
What are the key properties of N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine?
N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine has a molecular weight of 435.45 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-7-[3-(trifluoromethyl)-2-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 11385011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).