N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine

C30H30F2N4O2 — CID 59631208

IUPACN-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C30H30F2N4O2/c1-20-29(23-4-2-3-5-25(23)32)33-26-18-21(31)6-8-24(26)30(20)34-27-19-22(35-10-14-37-15-11-35)7-9-28(27)36-12-16-38-17-13-36/h2-9,18-19H,10-17H2,1H3,(H,33,34)
InChIKeyBEYPIUSYQSWAPN-UHFFFAOYSA-N
MW516.59 g/mol
LogP5.91
Rot. Bonds5

About N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine

N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine (PubChem CID 59631208) has the molecular formula C30H30F2N4O2 and a molecular weight of 516.59 g/mol. Its IUPAC name is N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine.

Molecular Properties

Compound NameN-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
PubChem CID59631208
Molecular FormulaC30H30F2N4O2
Molecular Weight516.59 g/mol
Exact Mass516.23
IUPAC NameN-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine
SMILESCc1c(-c2ccccc2F)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1
InChIInChI=1S/C30H30F2N4O2/c1-20-29(23-4-2-3-5-25(23)32)33-26-18-21(31)6-8-24(26)30(20)34-27-19-22(35-10-14-37-15-11-35)7-9-28(27)36-12-16-38-17-13-36/h2-9,18-19H,10-17H2,1H3,(H,33,34)
InChIKeyBEYPIUSYQSWAPN-UHFFFAOYSA-N
XLogP5.91
TPSA49.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 55.91
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)-2-(2-fluorophenyl)-3-methylquinolin-4-amine
CID 50905050
N-(2,5-dimorpholin-4-ylphenyl)-5,7-difluoro-3-methyl-2-(2-methylsulfanylphenyl)quinolin-4-amine
CID 50906139
2-[[2-(2-fluorophenyl)-3-methylquinolin-4-yl]amino]-4-morpholin-4-ylbenzonitrile
CID 50906135
N-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-2-(2-fluoro-5-nitrophenyl)-3-methylquinolin-4-amine
CID 59631298
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-(2,5-dimorpholin-4-yl-3-pyridinyl)-7-fluoro-3-propan-2-yl-2-pyridin-2-ylquinolin-4-amine
CID 59631479
N-[3-[(dimethylamino)methyl]-5-morpholin-4-ylphenyl]-7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
CID 59631388
N-cyclopropyl-3-[(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)amino]-5-morpholin-4-ylbenzamide
CID 67507904
2-fluoro-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)benzamide
CID 110400396
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
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

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The IUPAC name of N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine (CID 59631208) is N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine.
What is the SMILES notation for N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The canonical SMILES for N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine is Cc1c(-c2ccccc2F)nc2cc(F)ccc2c1Nc1cc(N2CCOCC2)ccc1N1CCOCC1.
What is the InChIKey of N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
The InChIKey is BEYPIUSYQSWAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F2N4O2/c1-20-29(23-4-2-3-5-25(23)32)33-26-18-21(31)6-8-24(26)30(20)34-27-19-22(35-10-14-37-15-11-35)7-9-28(27)36-12-16-38-17-13-36/h2-9,18-19H,10-17H2,1H3,(H,33,34).
What are the key properties of N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine?
N-(2,5-dimorpholin-4-ylphenyl)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine has a molecular weight of 516.59 g/mol, XLogP of 5.91, 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)-7-fluoro-2-(2-fluorophenyl)-3-methylquinolin-4-amine is sourced from PubChem (CID 59631208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).