3-quinolin-7-ylpropanamide

C12H12N2O — CID 82578510

IUPAC3-quinolin-7-ylpropanamide
SMILESNC(=O)CCc1ccc2cccnc2c1
InChIInChI=1S/C12H12N2O/c13-12(15)6-4-9-3-5-10-2-1-7-14-11(10)8-9/h1-3,5,7-8H,4,6H2,(H2,13,15)
InChIKeyLGYXZCNJTVQDJW-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.65
Rot. Bonds3

About 3-quinolin-7-ylpropanamide

3-quinolin-7-ylpropanamide (PubChem CID 82578510) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-quinolin-7-ylpropanamide.

Molecular Properties

Compound Name3-quinolin-7-ylpropanamide
PubChem CID82578510
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-quinolin-7-ylpropanamide
SMILESNC(=O)CCc1ccc2cccnc2c1
InChIInChI=1S/C12H12N2O/c13-12(15)6-4-9-3-5-10-2-1-7-14-11(10)8-9/h1-3,5,7-8H,4,6H2,(H2,13,15)
InChIKeyLGYXZCNJTVQDJW-UHFFFAOYSA-N
XLogP1.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-quinolin-7-ylacetic acid
CID 18675903
3-quinolin-7-ylpropan-1-amine
CID 55268089
2-quinolin-7-ylethyl cyclopropanecarboxylate
CID 155955554
2-quinolin-7-ylacetaldehyde
CID 22630864
1-(2-quinolin-7-ylethyl)cyclopropan-1-amine
CID 105466228
N-(2-quinolin-7-ylethyl)cyclopropanamine
CID 81223999
3-[4-(3-amino-3-oxopropyl)phenyl]propanamide
CID 102388205
N-ethyl-2-quinolin-7-ylethanamine
CID 81224928
5-[3-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
CID 139921962
5-[2-(quinolin-7-ylmethoxy)phenyl]pentanoic acid
CID 139922084
7-(isocyanatomethyl)quinoline
CID 117279781
(3S,4S)-4-(3-quinolin-7-ylpropanoylamino)oxane-3-carboxylic acid
CID 166296002

Frequently Asked Questions

What is the IUPAC name of 3-quinolin-7-ylpropanamide?
The IUPAC name of 3-quinolin-7-ylpropanamide (CID 82578510) is 3-quinolin-7-ylpropanamide.
What is the SMILES notation for 3-quinolin-7-ylpropanamide?
The canonical SMILES for 3-quinolin-7-ylpropanamide is NC(=O)CCc1ccc2cccnc2c1.
What is the InChIKey of 3-quinolin-7-ylpropanamide?
The InChIKey is LGYXZCNJTVQDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(15)6-4-9-3-5-10-2-1-7-14-11(10)8-9/h1-3,5,7-8H,4,6H2,(H2,13,15).
What are the key properties of 3-quinolin-7-ylpropanamide?
3-quinolin-7-ylpropanamide has a molecular weight of 200.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-quinolin-7-ylpropanamide is sourced from PubChem (CID 82578510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).