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

C18H15FN4 — CID 133278314

IUPACN-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESFc1ccc2c(CCNc3ncnc4ccccc34)c[nH]c2c1
InChIInChI=1S/C18H15FN4/c19-13-5-6-14-12(10-21-17(14)9-13)7-8-20-18-15-3-1-2-4-16(15)22-11-23-18/h1-6,9-11,21H,7-8H2,(H,20,22,23)
InChIKeyMJKOFFMZVMGYCC-UHFFFAOYSA-N
MW306.34 g/mol
LogP3.90
Rot. Bonds4

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

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine (PubChem CID 133278314) has the molecular formula C18H15FN4 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
PubChem CID133278314
Molecular FormulaC18H15FN4
Molecular Weight306.34 g/mol
Exact Mass306.13
IUPAC NameN-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
SMILESFc1ccc2c(CCNc3ncnc4ccccc34)c[nH]c2c1
InChIInChI=1S/C18H15FN4/c19-13-5-6-14-12(10-21-17(14)9-13)7-8-20-18-15-3-1-2-4-16(15)22-11-23-18/h1-6,9-11,21H,7-8H2,(H,20,22,23)
InChIKeyMJKOFFMZVMGYCC-UHFFFAOYSA-N
XLogP3.90
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-fluoro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 133278287
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430596
2-chloro-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]pyridin-4-amine
CID 133360584
4-N-[(4-fluorophenyl)methyl]-6-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112859722
N-[(2,5-difluorophenyl)methyl]quinazolin-4-amine
CID 63373228
2-[2-[2-(quinazolin-4-ylamino)ethyl]phenyl]ethanol
CID 67890696
4-N,6-N-bis[2-(1H-indol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 112862352
N-[2-[4,5-difluoro-2-(methoxymethyl)phenyl]ethyl]quinazolin-4-amine
CID 67597994
N-[2-(2,3-difluorophenyl)ethyl]-6-fluoroquinazolin-4-amine
CID 91642669
2-chloro-N-[2-(1H-indol-3-yl)ethyl]quinazolin-4-amine
CID 22692794
7-chloro-N-[2-(2-fluorophenyl)ethyl]quinazolin-4-amine
CID 91647410
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The IUPAC name of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine (CID 133278314) is N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine is Fc1ccc2c(CCNc3ncnc4ccccc34)c[nH]c2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
The InChIKey is MJKOFFMZVMGYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4/c19-13-5-6-14-12(10-21-17(14)9-13)7-8-20-18-15-3-1-2-4-16(15)22-11-23-18/h1-6,9-11,21H,7-8H2,(H,20,22,23).
What are the key properties of N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine?
N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine has a molecular weight of 306.34 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-indol-3-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 133278314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).