6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine

C18H14F2N4 — CID 133278287

IUPAC6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESFc1ccc2c(CCNc3ncnc4ccc(F)cc34)c[nH]c2c1
InChIInChI=1S/C18H14F2N4/c19-12-2-4-16-15(7-12)18(24-10-23-16)21-6-5-11-9-22-17-8-13(20)1-3-14(11)17/h1-4,7-10,22H,5-6H2,(H,21,23,24)
InChIKeyZHUJWCOJCQPPKI-UHFFFAOYSA-N
MW324.33 g/mol
LogP4.04
Rot. Bonds4

About 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine

6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 133278287) has the molecular formula C18H14F2N4 and a molecular weight of 324.33 g/mol. Its IUPAC name is 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID133278287
Molecular FormulaC18H14F2N4
Molecular Weight324.33 g/mol
Exact Mass324.12
IUPAC Name6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESFc1ccc2c(CCNc3ncnc4ccc(F)cc34)c[nH]c2c1
InChIInChI=1S/C18H14F2N4/c19-12-2-4-16-15(7-12)18(24-10-23-16)21-6-5-11-9-22-17-8-13(20)1-3-14(11)17/h1-4,7-10,22H,5-6H2,(H,21,23,24)
InChIKeyZHUJWCOJCQPPKI-UHFFFAOYSA-N
XLogP4.04
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278314
6-fluoro-N-[2-[4-(4-fluorophenyl)phenyl]ethyl]quinazolin-4-amine
CID 171352860
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
4-[2-[(6-fluoroquinazolin-4-yl)amino]ethyl]benzonitrile
CID 86305930
6-fluoro-N-[2-(4-pyridin-4-ylphenyl)ethyl]quinazolin-4-amine
CID 171350371
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methyl-3-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]guanidine;hydroiodide
CID 111888316
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-6-propan-2-ylquinazolin-4-amine
CID 167828623
6-fluoro-N-[2-(2-methoxyethoxy)ethyl]quinazolin-4-amine
CID 133274665
6-fluoro-N-(3-phenoxypropyl)quinazolin-4-amine
CID 78901232
6-fluoro-N-[2-(4-naphthalen-2-ylphenyl)ethyl]quinazolin-4-amine
CID 171354439
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 133278287) is 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine is Fc1ccc2c(CCNc3ncnc4ccc(F)cc34)c[nH]c2c1.
What is the InChIKey of 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is ZHUJWCOJCQPPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4/c19-12-2-4-16-15(7-12)18(24-10-23-16)21-6-5-11-9-22-17-8-13(20)1-3-14(11)17/h1-4,7-10,22H,5-6H2,(H,21,23,24).
What are the key properties of 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 324.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133278287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).