N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine

C24H16ClF3N6 — CID 56929669

IUPACN-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)cn1
InChIInChI=1S/C24H16ClF3N6/c1-13-7-8-15(11-30-13)19-16(10-14-4-2-5-17(25)20(14)33-19)22(24(26,27)28)34-23-21-18(31-12-32-23)6-3-9-29-21/h2-12,22H,1H3,(H,31,32,34)/t22-/m1/s1
InChIKeyJJUXOACOOMIQPY-JOCHJYFZSA-N
MW480.88 g/mol
LogP6.31
Rot. Bonds4

About N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine

N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine (PubChem CID 56929669) has the molecular formula C24H16ClF3N6 and a molecular weight of 480.88 g/mol. Its IUPAC name is N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
PubChem CID56929669
Molecular FormulaC24H16ClF3N6
Molecular Weight480.88 g/mol
Exact Mass480.11
IUPAC NameN-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)cn1
InChIInChI=1S/C24H16ClF3N6/c1-13-7-8-15(11-30-13)19-16(10-14-4-2-5-17(25)20(14)33-19)22(24(26,27)28)34-23-21-18(31-12-32-23)6-3-9-29-21/h2-12,22H,1H3,(H,31,32,34)/t22-/m1/s1
InChIKeyJJUXOACOOMIQPY-JOCHJYFZSA-N
XLogP6.31
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.88
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(1R)-1-(8-chloro-2-pyridin-3-ylquinolin-3-yl)-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 56929568
N-[1-[8-chloro-2-(1-hydroxypyridin-1-ium-3-yl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 145403121
N-[(1R)-2,2,2-trifluoro-1-(8-methylsulfonyl-2-pyridin-3-ylquinolin-3-yl)ethyl]pyrido[3,2-d]pyrimidin-4-amine
CID 56928388
[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]azanide
CID 149431518
1-[[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]amino]-2-methylpropan-2-ol
CID 46871540
2-[4-[8-chloro-3-[1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanol
CID 71183450
2-[4-[8-chloro-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperazin-1-yl]ethanol
CID 52938005
8-chloroquinoline;ethane
CID 142246255
1-[[3-[1-[(4-amino-1,3,5-triazin-2-yl)amino]ethyl]-8-chloroquinolin-2-yl]amino]-2-methylpropan-2-ol
CID 66822142
6-fluoro-N-quinolin-8-ylquinazolin-4-amine
CID 110434591
8-chloro-7-fluoro-2-phenyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one;8-chloro-2-(3-methylphenyl)-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one;7-fluoro-2-phenyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]isoquinolin-1-one
CID 158212960
1-[7-fluoro-8-methyl-3-[(1S)-1-(pyrido[3,2-d]pyrimidin-4-ylamino)ethyl]quinolin-2-yl]piperidine-4-carboxamide;formic acid
CID 52938497

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine (CID 56929669) is N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-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-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine is Cc1ccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)cn1.
What is the InChIKey of N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
The InChIKey is JJUXOACOOMIQPY-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H16ClF3N6/c1-13-7-8-15(11-30-13)19-16(10-14-4-2-5-17(25)20(14)33-19)22(24(26,27)28)34-23-21-18(31-12-32-23)6-3-9-29-21/h2-12,22H,1H3,(H,31,32,34)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine?
N-[(1R)-1-[8-chloro-2-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine has a molecular weight of 480.88 g/mol, XLogP of 6.31, 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-(6-methyl-3-pyridinyl)quinolin-3-yl]-2,2,2-trifluoroethyl]pyrido[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 56929669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).