4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline

C15H18FN3 — CID 110433468

IUPAC4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
SMILESCCC1CCCCN1c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3/c1-2-12-5-3-4-8-19(12)15-13-9-11(16)6-7-14(13)17-10-18-15/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyDJYUQXVZZSAXBC-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.54
Rot. Bonds2

About 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline

4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline (PubChem CID 110433468) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
PubChem CID110433468
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
SMILESCCC1CCCCN1c1ncnc2ccc(F)cc12
InChIInChI=1S/C15H18FN3/c1-2-12-5-3-4-8-19(12)15-13-9-11(16)6-7-14(13)17-10-18-15/h6-7,9-10,12H,2-5,8H2,1H3
InChIKeyDJYUQXVZZSAXBC-UHFFFAOYSA-N
XLogP3.54
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-6-fluoroquinazoline
CID 133425208
4-[(2R)-2-ethylpiperidin-1-yl]thieno[2,3-d]pyrimidine
CID 7838265
[1-(6-aminoquinazolin-4-yl)azepan-2-yl]methanol
CID 116633942
4-(6-fluoroquinazolin-4-yl)-1,3,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
CID 133430021
4-(2-ethylpiperidin-1-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-5-amine
CID 19140549
4-[4-(2,2-difluoroethyl)-3-ethylpiperazin-1-yl]-6-fluoroquinazoline
CID 136518924
6-fluoro-4-[4-(fluoromethyl)piperidin-1-yl]quinazoline
CID 172882648
4-(3-ethoxypiperidin-1-yl)-6-fluoroquinazoline
CID 133274317
N-methyl-1-(1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 62586937
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
6-chloro-4-(2-methylpiperidin-1-yl)quinazoline
CID 172903082
6-fluoro-4-(1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)quinazoline
CID 133428827

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline (CID 110433468) is 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline is CCC1CCCCN1c1ncnc2ccc(F)cc12.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline?
The InChIKey is DJYUQXVZZSAXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-2-12-5-3-4-8-19(12)15-13-9-11(16)6-7-14(13)17-10-18-15/h6-7,9-10,12H,2-5,8H2,1H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline?
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline has a molecular weight of 259.33 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline is sourced from PubChem (CID 110433468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).