N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

C21H17FN4 — CID 9311182

IUPACN-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H17FN4/c22-17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13H2,(H,24,25,26)
InChIKeyLBNBNGHCPGFKQQ-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.49
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine

N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 9311182) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
PubChem CID9311182
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
SMILESFc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1
InChIInChI=1S/C21H17FN4/c22-17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13H2,(H,24,25,26)
InChIKeyLBNBNGHCPGFKQQ-UHFFFAOYSA-N
XLogP4.49
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-bromophenyl)ethyl]-2-phenylquinazolin-4-amine
CID 69222573
N-(2-cyclopropylethyl)-2-pyridin-3-ylquinazolin-4-amine
CID 133324203
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
N-prop-2-ynyl-2-pyridin-3-ylquinazolin-4-amine
CID 9251922
N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 133295619
N-(2-phenylethyl)-2-pyridin-3-yl-6-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 18459868
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952
4-[[(2-pyridin-3-ylquinazolin-4-yl)amino]methyl]benzenesulfonamide;dihydrochloride
CID 19392360
N-[(2-methylphenyl)methyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9251567
2-pyridin-3-yl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]quinazolin-4-amine
CID 9024551
N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 2553407
N-[(2S)-3-methylbutan-2-yl]-2-pyridin-3-ylquinazolin-4-amine
CID 9111435

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine (CID 9311182) is N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is Fc1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is LBNBNGHCPGFKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c22-17-9-7-15(8-10-17)11-13-24-21-18-5-1-2-6-19(18)25-20(26-21)16-4-3-12-23-14-16/h1-10,12,14H,11,13H2,(H,24,25,26).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine?
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 344.39 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 9311182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).