6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine

C26H20FN3 — CID 171354439

IUPAC6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C26H20FN3/c27-23-11-12-25-24(16-23)26(30-17-29-25)28-14-13-18-5-7-20(8-6-18)22-10-9-19-3-1-2-4-21(19)15-22/h1-12,15-17H,13-14H2,(H,28,29,30)
InChIKeyDRVMJQTXGOTLTI-UHFFFAOYSA-N
MW393.47 g/mol
LogP6.24
Rot. Bonds5

About 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine

6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine (PubChem CID 171354439) has the molecular formula C26H20FN3 and a molecular weight of 393.47 g/mol. Its IUPAC name is 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
PubChem CID171354439
Molecular FormulaC26H20FN3
Molecular Weight393.47 g/mol
Exact Mass393.16
IUPAC Name6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
SMILESFc1ccc2ncnc(NCCc3ccc(-c4ccc5ccccc5c4)cc3)c2c1
InChIInChI=1S/C26H20FN3/c27-23-11-12-25-24(16-23)26(30-17-29-25)28-14-13-18-5-7-20(8-6-18)22-10-9-19-3-1-2-4-21(19)15-22/h1-12,15-17H,13-14H2,(H,28,29,30)
InChIKeyDRVMJQTXGOTLTI-UHFFFAOYSA-N
XLogP6.24
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
6-bromo-N-[2-(3-fluorophenyl)ethyl]quinazolin-4-amine
CID 25175672
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
N-[2-fluoro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305238
N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-N,2-dimethylpropanamide
CID 86305445
6-nitro-N-[2-(4-phenoxyphenyl)ethyl]quinazolin-4-amine
CID 175100057
N-ethyl-N-[4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]-2-methylpropanamide
CID 86305545
N-[2-chloro-4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]phenyl]acetamide
CID 86305990

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine (CID 171354439) is 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine is Fc1ccc2ncnc(NCCc3ccc(-c4ccc5ccccc5c4)cc3)c2c1.
What is the InChIKey of 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine?
The InChIKey is DRVMJQTXGOTLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3/c27-23-11-12-25-24(16-23)26(30-17-29-25)28-14-13-18-5-7-20(8-6-18)22-10-9-19-3-1-2-4-21(19)15-22/h1-12,15-17H,13-14H2,(H,28,29,30).
What are the key properties of 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine?
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine has a molecular weight of 393.47 g/mol, XLogP of 6.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 171354439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).