2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine

C27H21FN4 — CID 118634341

IUPAC2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine
SMILESCc1cc(-c2ccc(CNc3cccc4nc(-c5cccc(F)c5)cnc34)cc2)ccn1
InChIInChI=1S/C27H21FN4/c1-18-14-21(12-13-29-18)20-10-8-19(9-11-20)16-30-24-6-3-7-25-27(24)31-17-26(32-25)22-4-2-5-23(28)15-22/h2-15,17,30H,16H2,1H3
InChIKeyVSTXVMDYNRJNAA-UHFFFAOYSA-N
MW420.49 g/mol
LogP6.42
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine

2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine (PubChem CID 118634341) has the molecular formula C27H21FN4 and a molecular weight of 420.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine
PubChem CID118634341
Molecular FormulaC27H21FN4
Molecular Weight420.49 g/mol
Exact Mass420.18
IUPAC Name2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine
SMILESCc1cc(-c2ccc(CNc3cccc4nc(-c5cccc(F)c5)cnc34)cc2)ccn1
InChIInChI=1S/C27H21FN4/c1-18-14-21(12-13-29-18)20-10-8-19(9-11-20)16-30-24-6-3-7-25-27(24)31-17-26(32-25)22-4-2-5-23(28)15-22/h2-15,17,30H,16H2,1H3
InChIKeyVSTXVMDYNRJNAA-UHFFFAOYSA-N
XLogP6.42
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.49
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine
CID 57413686
6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
CID 175275331
N-benzyl-2-(3-fluorophenyl)quinolin-5-amine;2-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinolin-5-amine;bis(N-[(4-methylphenyl)methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine);6-(2-methyl-4-pyridinyl)-N-(pyridin-3-ylmethyl)-2,7-naphthyridin-1-amine
CID 161348397
6-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]isoquinolin-1-amine;N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine;2-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-1,6-naphthyridin-5-amine;6-(2-methyl-4-pyridinyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-phenylpyrido[3,4-b]pyrazin-5-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridin-4-yl-2,7-naphthyridin-1-amine
CID 158242100
N-[[3-methyl-4-(2-methyl-4-pyridinyl)phenyl]methyl]-2-(2-methyl-4-pyridinyl)pyrido[3,4-b]pyrazin-5-amine
CID 86274022
5-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]pyridine-2-carboxamide
CID 56598625
5-chloro-2-(3-fluorophenyl)quinoxaline
CID 151894475
6-(3-chlorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-2,7-naphthyridin-1-amine;6-(3-fluorophenyl)-N-[[4-[2-(trifluoromethyl)-4-pyridinyl]phenyl]methyl]-2,7-naphthyridin-1-amine;N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-phenyl-2,7-naphthyridin-1-amine
CID 161183960
N-[[4-[(quinoxalin-5-ylamino)methyl]phenyl]methyl]hydroxylamine
CID 167114641
4-fluoro-2-(2-methyl-4-pyridinyl)pyridine
CID 102824556
5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
CID 129033475
N-benzyl-2-(3-fluorophenyl)-1,6-naphthyridin-5-amine
CID 71618008

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine?
The IUPAC name of 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine (CID 118634341) is 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine?
The canonical SMILES for 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine is Cc1cc(-c2ccc(CNc3cccc4nc(-c5cccc(F)c5)cnc34)cc2)ccn1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine?
The InChIKey is VSTXVMDYNRJNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4/c1-18-14-21(12-13-29-18)20-10-8-19(9-11-20)16-30-24-6-3-7-25-27(24)31-17-26(32-25)22-4-2-5-23(28)15-22/h2-15,17,30H,16H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine?
2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine has a molecular weight of 420.49 g/mol, XLogP of 6.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine is sourced from PubChem (CID 118634341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).