N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine

C30H31FN4O2 — CID 50905050

IUPACN-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine
SMILESCc1c(-c2ccccc2F)nc2ccccc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C30H31FN4O2/c1-21-29(23-6-2-4-8-25(23)31)32-26-9-5-3-7-24(26)30(21)33-27-20-22(34-12-16-36-17-13-34)10-11-28(27)35-14-18-37-19-15-35/h2-11,20H,12-19H2,1H3,(H,32,33)
InChIKeyKGNHGCNBHHMLBZ-UHFFFAOYSA-N
MW498.60 g/mol
LogP5.77
Rot. Bonds5

About N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine

N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine (PubChem CID 50905050) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine
PubChem CID50905050
Molecular FormulaC30H31FN4O2
Molecular Weight498.60 g/mol
Exact Mass498.24
IUPAC NameN-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine
SMILESCc1c(-c2ccccc2F)nc2ccccc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C30H31FN4O2/c1-21-29(23-6-2-4-8-25(23)31)32-26-9-5-3-7-24(26)30(21)33-27-20-22(34-12-16-36-17-13-34)10-11-28(27)35-14-18-37-19-15-35/h2-11,20H,12-19H2,1H3,(H,32,33)
InChIKeyKGNHGCNBHHMLBZ-UHFFFAOYSA-N
XLogP5.77
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
CID 59631208
2-[[2-(2-fluorophenyl)-3-methylquinolin-4-yl]amino]-4-morpholin-4-ylbenzonitrile
CID 50906135
N-(2,5-dimorpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-(2-methylsulfanylphenyl)quinolin-4-amine
CID 50906139
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluoro-5-nitrophenyl)-3-methylquinolin-4-amine
CID 59631298
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
4-(2-fluorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-5-amine
CID 83286313
4-[4-(2-fluorophenyl)phenyl]-5-methyl-N-(2-morpholin-4-ylphenyl)-1,3-thiazol-2-amine
CID 2741200
N-[5-(1,1-dihydroxy-1,4-thiazinan-4-yl)-2-morpholin-4-yl-3-pyridinyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 68783405
N-(2-chloro-5-morpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine;4-[3-[(5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-yl-2-pyridinyl]phenol;(4-hydroxyphenyl)boronic acid
CID 159291146
4-[2-(4-chlorophenyl)-3-methylquinolin-4-yl]morpholine
CID 4591823
4-chloro-5,7-difluoro-3-methyl-2-pyridin-2-ylquinoline;5,7-difluoro-N-[2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylphenyl]-3-methyl-2-pyridin-2-ylquinolin-4-amine;2-(6-methoxy-3-pyridinyl)-5-morpholin-4-ylaniline
CID 162120593
8-chloro-N-(2,5-dimorpholin-4-yl-3-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631140

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine (CID 50905050) is N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine is Cc1c(-c2ccccc2F)nc2ccccc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The InChIKey is KGNHGCNBHHMLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c1-21-29(23-6-2-4-8-25(23)31)32-26-9-5-3-7-24(26)30(21)33-27-20-22(34-12-16-36-17-13-34)10-11-28(27)35-14-18-37-19-15-35/h2-11,20H,12-19H2,1H3,(H,32,33).
What are the key properties of N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine has a molecular weight of 498.60 g/mol, XLogP of 5.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimorpholin-4-ylphenyl)-2-(2-fluorophenyl)-3-methylquinolin-4-amine is sourced from PubChem (CID 50905050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).