1-propyl-[1,2]oxazolo[4,5-f]quinoline

C13H12N2O — CID 164736959

IUPAC1-propyl-[1,2]oxazolo[4,5-f]quinoline
SMILESCCCc1noc2ccc3ncccc3c12
InChIInChI=1S/C13H12N2O/c1-2-4-11-13-9-5-3-8-14-10(9)6-7-12(13)16-15-11/h3,5-8H,2,4H2,1H3
InChIKeyIKDROJGMHIVQOC-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.33
Rot. Bonds2

About 1-propyl-[1,2]oxazolo[4,5-f]quinoline

1-propyl-[1,2]oxazolo[4,5-f]quinoline (PubChem CID 164736959) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-propyl-[1,2]oxazolo[4,5-f]quinoline.

Molecular Properties

Compound Name1-propyl-[1,2]oxazolo[4,5-f]quinoline
PubChem CID164736959
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name1-propyl-[1,2]oxazolo[4,5-f]quinoline
SMILESCCCc1noc2ccc3ncccc3c12
InChIInChI=1S/C13H12N2O/c1-2-4-11-13-9-5-3-8-14-10(9)6-7-12(13)16-15-11/h3,5-8H,2,4H2,1H3
InChIKeyIKDROJGMHIVQOC-UHFFFAOYSA-N
XLogP3.33
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-butylbenzo[f]quinoline
CID 15873192
5-chloro-3-propyl-1,2-benzoxazole
CID 177441430
2,3-dipropylpyridine
CID 19593488
5-(5-propylpyrazol-1-yl)quinoline
CID 139907305
1-(2-piperazin-1-ylethyl)benzo[e][1,2]benzoxazole
CID 39097852
N-[3-(1-propylbenzo[e][1,2]benzoxazol-7-yl)oxyphenyl]acetamide
CID 164736974
1-bromofuro[3,2-f]quinoline-2-carboxylic acid
CID 175548798
6-N-ethylquinoline-5,6-diamine
CID 43809532
2-propyl-3-[(2-propyl-3-pyridinyl)disulfanyl]pyridine
CID 160565101
benzo[f]quinoline;iodomethane
CID 21121996
ethane;5-ethylquinoline
CID 143401043
(4-propylthiadiazol-5-yl)-quinolin-5-ylmethanone
CID 105121084

Frequently Asked Questions

What is the IUPAC name of 1-propyl-[1,2]oxazolo[4,5-f]quinoline?
The IUPAC name of 1-propyl-[1,2]oxazolo[4,5-f]quinoline (CID 164736959) is 1-propyl-[1,2]oxazolo[4,5-f]quinoline.
What is the SMILES notation for 1-propyl-[1,2]oxazolo[4,5-f]quinoline?
The canonical SMILES for 1-propyl-[1,2]oxazolo[4,5-f]quinoline is CCCc1noc2ccc3ncccc3c12.
What is the InChIKey of 1-propyl-[1,2]oxazolo[4,5-f]quinoline?
The InChIKey is IKDROJGMHIVQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-2-4-11-13-9-5-3-8-14-10(9)6-7-12(13)16-15-11/h3,5-8H,2,4H2,1H3.
What are the key properties of 1-propyl-[1,2]oxazolo[4,5-f]quinoline?
1-propyl-[1,2]oxazolo[4,5-f]quinoline has a molecular weight of 212.25 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-[1,2]oxazolo[4,5-f]quinoline is sourced from PubChem (CID 164736959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).