2-propyl-1-quinolin-3-ylguanidine

C13H16N4 — CID 62806862

IUPAC2-propyl-1-quinolin-3-ylguanidine
SMILESCCC/N=C(\N)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H16N4/c1-2-7-15-13(14)17-11-8-10-5-3-4-6-12(10)16-9-11/h3-6,8-9H,2,7H2,1H3,(H3,14,15,17)
InChIKeyIGUGSGRTYXJKKE-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.37
Rot. Bonds3

About 2-propyl-1-quinolin-3-ylguanidine

2-propyl-1-quinolin-3-ylguanidine (PubChem CID 62806862) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-propyl-1-quinolin-3-ylguanidine.

Molecular Properties

Compound Name2-propyl-1-quinolin-3-ylguanidine
PubChem CID62806862
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-propyl-1-quinolin-3-ylguanidine
SMILESCCC/N=C(\N)Nc1cnc2ccccc2c1
InChIInChI=1S/C13H16N4/c1-2-7-15-13(14)17-11-8-10-5-3-4-6-12(10)16-9-11/h3-6,8-9H,2,7H2,1H3,(H3,14,15,17)
InChIKeyIGUGSGRTYXJKKE-UHFFFAOYSA-N
XLogP2.37
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-quinolin-3-ylhydroxylamine
CID 54286324
2-amino-2-methyl-N-quinolin-3-ylpentanamide
CID 60846674
2-amino-N-quinolin-3-ylcyclopropane-1-carboxamide
CID 114995607
methyl N-quinolin-3-ylcarbamate
CID 19697860
3-amino-3-hydroxyimino-2-methyl-N-quinolin-3-ylpropanamide
CID 76949639
4-(2-methylbutan-2-yl)-N-quinolin-3-ylbenzamide
CID 66815675
(2R)-2-(quinolin-3-ylcarbamoylamino)pentanoic acid
CID 107566857
1-(2-methoxyethyl)-3-quinolin-3-ylurea
CID 175700628
2,2-dimethyl-3-(quinolin-3-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 53368137
1-(3,5-difluorophenyl)-2-propylguanidine
CID 62378719
3-(4-pentylphenyl)-N-quinolin-3-ylpropanamide
CID 11725197
ethyl 6-(quinolin-3-ylcarbamoyl)pyridine-2-carboxylate
CID 4018923

Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-quinolin-3-ylguanidine?
The IUPAC name of 2-propyl-1-quinolin-3-ylguanidine (CID 62806862) is 2-propyl-1-quinolin-3-ylguanidine.
What is the SMILES notation for 2-propyl-1-quinolin-3-ylguanidine?
The canonical SMILES for 2-propyl-1-quinolin-3-ylguanidine is CCC/N=C(\N)Nc1cnc2ccccc2c1.
What is the InChIKey of 2-propyl-1-quinolin-3-ylguanidine?
The InChIKey is IGUGSGRTYXJKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-2-7-15-13(14)17-11-8-10-5-3-4-6-12(10)16-9-11/h3-6,8-9H,2,7H2,1H3,(H3,14,15,17).
What are the key properties of 2-propyl-1-quinolin-3-ylguanidine?
2-propyl-1-quinolin-3-ylguanidine has a molecular weight of 228.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-quinolin-3-ylguanidine is sourced from PubChem (CID 62806862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).