N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine

C27H21FN4 — CID 57413686

IUPACN-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine
SMILESCc1cc(-c2ccc3c(NCc4ccc(-c5cccc(F)c5)cc4)ncnc3c2)ccn1
InChIInChI=1S/C27H21FN4/c1-18-13-23(11-12-29-18)22-9-10-25-26(15-22)31-17-32-27(25)30-16-19-5-7-20(8-6-19)21-3-2-4-24(28)14-21/h2-15,17H,16H2,1H3,(H,30,31,32)
InChIKeyLZKUTTZNNPIUAN-UHFFFAOYSA-N
MW420.49 g/mol
LogP6.42
Rot. Bonds5

About N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine

N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine (PubChem CID 57413686) has the molecular formula C27H21FN4 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine
PubChem CID57413686
Molecular FormulaC27H21FN4
Molecular Weight420.49 g/mol
Exact Mass420.18
IUPAC NameN-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine
SMILESCc1cc(-c2ccc3c(NCc4ccc(-c5cccc(F)c5)cc4)ncnc3c2)ccn1
InChIInChI=1S/C27H21FN4/c1-18-13-23(11-12-29-18)22-9-10-25-26(15-22)31-17-32-27(25)30-16-19-5-7-20(8-6-19)21-3-2-4-24(28)14-21/h2-15,17H,16H2,1H3,(H,30,31,32)
InChIKeyLZKUTTZNNPIUAN-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

7-(2-methyl-4-pyridinyl)-N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]quinazolin-4-amine
CID 57413824
N-[[5-(2-methyl-4-pyridinyl)-2-pyridinyl]methyl]-7-phenylquinazolin-4-amine
CID 57415123
2-(3-fluorophenyl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]quinoxalin-5-amine
CID 118634341
6-(3-fluorophenyl)-N-[2-[4-(2-methyl-4-pyridinyl)phenyl]ethyl]-2,7-naphthyridin-1-amine
CID 175275331
5-fluoro-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-(2-methylquinolin-6-yl)pyrimidin-4-amine
CID 129033475
7-phenyl-N-[(6-pyridin-4-yl-3-pyridinyl)methyl]quinazolin-4-amine
CID 57415380
N-benzyl-2-(3-fluorophenyl)-1,6-naphthyridin-5-amine
CID 71618008
N-[[6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-7-(1,2,3,6-tetrahydropyridin-4-yl)quinazolin-4-amine
CID 57414224
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
CID 71617873
5-fluoro-6-(1-methylindol-5-yl)-N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]pyrimidin-4-amine
CID 158199629
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
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine?
The IUPAC name of N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine (CID 57413686) is N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine.
What is the SMILES notation for N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine?
The canonical SMILES for N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine is Cc1cc(-c2ccc3c(NCc4ccc(-c5cccc(F)c5)cc4)ncnc3c2)ccn1.
What is the InChIKey of N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine?
The InChIKey is LZKUTTZNNPIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21FN4/c1-18-13-23(11-12-29-18)22-9-10-25-26(15-22)31-17-32-27(25)30-16-19-5-7-20(8-6-19)21-3-2-4-24(28)14-21/h2-15,17H,16H2,1H3,(H,30,31,32).
What are the key properties of N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine?
N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-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 N-[[4-(3-fluorophenyl)phenyl]methyl]-7-(2-methyl-4-pyridinyl)quinazolin-4-amine is sourced from PubChem (CID 57413686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).