7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine

C25H25ClFN7O — CID 146733627

IUPAC7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
SMILESFc1ccc(Nc2nc(CCCNc3ccnc4cc(Cl)ccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H25ClFN7O/c26-17-3-8-20-21(9-11-29-22(20)16-17)28-10-1-2-23-31-24(30-19-6-4-18(27)5-7-19)33-25(32-23)34-12-14-35-15-13-34/h3-9,11,16H,1-2,10,12-15H2,(H,28,29)(H,30,31,32,33)
InChIKeyRIQVAKQWDSHWBE-UHFFFAOYSA-N
MW493.97 g/mol
LogP4.84
Rot. Bonds8

About 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine (PubChem CID 146733627) has the molecular formula C25H25ClFN7O and a molecular weight of 493.97 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
PubChem CID146733627
Molecular FormulaC25H25ClFN7O
Molecular Weight493.97 g/mol
Exact Mass493.18
IUPAC Name7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
SMILESFc1ccc(Nc2nc(CCCNc3ccnc4cc(Cl)ccc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H25ClFN7O/c26-17-3-8-20-21(9-11-29-22(20)16-17)28-10-1-2-23-31-24(30-19-6-4-18(27)5-7-19)33-25(32-23)34-12-14-35-15-13-34/h3-9,11,16H,1-2,10,12-15H2,(H,28,29)(H,30,31,32,33)
InChIKeyRIQVAKQWDSHWBE-UHFFFAOYSA-N
XLogP4.84
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.97
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

7-chloro-N-[3-[4-(4-fluoroanilino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine
CID 158771668
4-N-[2-[(7-chloroquinolin-4-yl)amino]ethyl]-2-N-(4-ethylphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 71598239
4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-2-N-(4-fluorophenyl)-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666697
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-6-morpholin-4-yl-2-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 46227112
2-N-(4-chlorophenyl)-4-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4,6-triamine
CID 90666705
[3-[[4-[[(7-chloroquinolin-4-yl)amino]methylamino]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-5-methoxyphenyl]methanol
CID 130261644
2-N-(3-chlorophenyl)-4-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580323
4-chloro-N-(4-fluorophenyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 23381719
4-N-[4-[2-(3-aminopropyl)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]-1-N-(7-chloroquinolin-4-yl)benzene-1,4-diamine
CID 51346923
2-N-[4-[(7-chloroquinolin-4-yl)amino]phenyl]-6-(3,4-dihydro-2H-quinolin-1-yl)-4-N-(3-morpholin-4-ylpropyl)-1,3,5-triazine-2,4-diamine
CID 90666717
4-N-[3-[(7-chloroquinolin-4-yl)amino]propyl]-2-N-cyclohexyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 46227634
[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
CID 67247174

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine (CID 146733627) is 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine is Fc1ccc(Nc2nc(CCCNc3ccnc4cc(Cl)ccc34)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
The InChIKey is RIQVAKQWDSHWBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN7O/c26-17-3-8-20-21(9-11-29-22(20)16-17)28-10-1-2-23-31-24(30-19-6-4-18(27)5-7-19)33-25(32-23)34-12-14-35-15-13-34/h3-9,11,16H,1-2,10,12-15H2,(H,28,29)(H,30,31,32,33).
What are the key properties of 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine has a molecular weight of 493.97 g/mol, XLogP of 4.84, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-(4-fluoroanilino)-6-morpholin-4-yl-1,3,5-triazin-2-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 146733627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).