5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline

C21H19FN4 — CID 55853938

IUPAC5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline
SMILESFc1cccc2ncnc(N3CCC(c4c[nH]c5ccccc45)CC3)c12
InChIInChI=1S/C21H19FN4/c22-17-5-3-7-19-20(17)21(25-13-24-19)26-10-8-14(9-11-26)16-12-23-18-6-2-1-4-15(16)18/h1-7,12-14,23H,8-11H2
InChIKeyMCYWJZINFOUWMU-UHFFFAOYSA-N
MW346.41 g/mol
LogP4.63
Rot. Bonds2

About 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline

5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline (PubChem CID 55853938) has the molecular formula C21H19FN4 and a molecular weight of 346.41 g/mol. Its IUPAC name is 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline.

Molecular Properties

Compound Name5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline
PubChem CID55853938
Molecular FormulaC21H19FN4
Molecular Weight346.41 g/mol
Exact Mass346.16
IUPAC Name5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline
SMILESFc1cccc2ncnc(N3CCC(c4c[nH]c5ccccc45)CC3)c12
InChIInChI=1S/C21H19FN4/c22-17-5-3-7-19-20(17)21(25-13-24-19)26-10-8-14(9-11-26)16-12-23-18-6-2-1-4-15(16)18/h1-7,12-14,23H,8-11H2
InChIKeyMCYWJZINFOUWMU-UHFFFAOYSA-N
XLogP4.63
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-4-(4-pyrimidin-2-yloxypiperidin-1-yl)quinazoline
CID 72881279
2-[4-(1H-indol-3-yl)piperidin-1-yl]pyridine-3-carbonitrile
CID 134036774
[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 56816106
5-chloro-2-[1-(5-fluoroquinazolin-4-yl)piperidin-4-yl]-1,3-benzothiazole
CID 55855516
3-[1-(2-methylphenyl)piperidin-4-yl]-1H-indole
CID 91802123
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
2-[4-(1H-indol-3-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
CID 155948642
5-fluoro-4-[(3S)-3-phenylpiperazin-1-yl]quinazoline
CID 97153563
6-[4-(1H-indol-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
CID 134036776
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
(3S)-1-(5-fluoroquinazolin-4-yl)piperidine-3-carboxamide
CID 94519630
N-(cyclopropylmethyl)-6-[4-(1H-indol-3-yl)piperidin-1-yl]-9-methylpurine-8-carboxamide
CID 66801936

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline?
The IUPAC name of 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline (CID 55853938) is 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline.
What is the SMILES notation for 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline?
The canonical SMILES for 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline is Fc1cccc2ncnc(N3CCC(c4c[nH]c5ccccc45)CC3)c12.
What is the InChIKey of 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline?
The InChIKey is MCYWJZINFOUWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4/c22-17-5-3-7-19-20(17)21(25-13-24-19)26-10-8-14(9-11-26)16-12-23-18-6-2-1-4-15(16)18/h1-7,12-14,23H,8-11H2.
What are the key properties of 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline?
5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline has a molecular weight of 346.41 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-[4-(1H-indol-3-yl)piperidin-1-yl]quinazoline is sourced from PubChem (CID 55853938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).