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

C23H14ClF3N6 — CID 56929568

IUPACN-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1-c1cccnc1
InChIInChI=1S/C23H14ClF3N6/c24-16-6-1-4-13-10-15(18(32-19(13)16)14-5-2-8-28-11-14)21(23(25,26)27)33-22-20-17(30-12-31-22)7-3-9-29-20/h1-12,21H,(H,30,31,33)/t21-/m1/s1
InChIKeyVZKOSMBWTLLPTL-OAQYLSRUSA-N
MW466.85 g/mol
LogP6.00
Rot. Bonds4

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

N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 56929568) has the molecular formula C23H14ClF3N6 and a molecular weight of 466.85 g/mol. Its IUPAC name is N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID56929568
Molecular FormulaC23H14ClF3N6
Molecular Weight466.85 g/mol
Exact Mass466.09
IUPAC NameN-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESFC(F)(F)[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1-c1cccnc1
InChIInChI=1S/C23H14ClF3N6/c24-16-6-1-4-13-10-15(18(32-19(13)16)14-5-2-8-28-11-14)21(23(25,26)27)33-22-20-17(30-12-31-22)7-3-9-29-20/h1-12,21H,(H,30,31,33)/t21-/m1/s1
InChIKeyVZKOSMBWTLLPTL-OAQYLSRUSA-N
XLogP6.00
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.85
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine (CID 56929568) is N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-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-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine is FC(F)(F)[C@H](Nc1ncnc2cccnc12)c1cc2cccc(Cl)c2nc1-c1cccnc1.
What is the InChIKey of N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is VZKOSMBWTLLPTL-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H14ClF3N6/c24-16-6-1-4-13-10-15(18(32-19(13)16)14-5-2-8-28-11-14)21(23(25,26)27)33-22-20-17(30-12-31-22)7-3-9-29-20/h1-12,21H,(H,30,31,33)/t21-/m1/s1.
What are the key properties of N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 466.85 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56929568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).