N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine

C24H15ClF3N5 — CID 56929569

IUPACN-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C24H15ClF3N5/c25-17-9-4-8-15-12-16(19(32-20(15)17)14-6-2-1-3-7-14)22(24(26,27)28)33-23-21-18(30-13-31-23)10-5-11-29-21/h1-13,22H,(H,30,31,33)/t22-/m1/s1
InChIKeyBYPOIZPQBUYOET-JOCHJYFZSA-N
MW465.87 g/mol
LogP6.61
Rot. Bonds4

About N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine

N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 56929569) has the molecular formula C24H15ClF3N5 and a molecular weight of 465.87 g/mol. Its IUPAC name is N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID56929569
Molecular FormulaC24H15ClF3N5
Molecular Weight465.87 g/mol
Exact Mass465.10
IUPAC NameN-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1-c1ccccc1
InChIInChI=1S/C24H15ClF3N5/c25-17-9-4-8-15-12-16(19(32-20(15)17)14-6-2-1-3-7-14)22(24(26,27)28)33-23-21-18(30-13-31-23)10-5-11-29-21/h1-13,22H,(H,30,31,33)/t22-/m1/s1
InChIKeyBYPOIZPQBUYOET-JOCHJYFZSA-N
XLogP6.61
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.87
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine (CID 56929569) is N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine is FC(F)(F)[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1-c1ccccc1.
What is the InChIKey of N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is BYPOIZPQBUYOET-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H15ClF3N5/c25-17-9-4-8-15-12-16(19(32-20(15)17)14-6-2-1-3-7-14)22(24(26,27)28)33-23-21-18(30-13-31-23)10-5-11-29-21/h1-13,22H,(H,30,31,33)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 465.87 g/mol, XLogP of 6.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(8-chloro-2-phenylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56929569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).