1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine

C14H16N4 — CID 111751900

IUPAC1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccnc2ccccc12)NC1CC1
InChIInChI=1S/C14H16N4/c15-14(18-11-5-6-11)17-9-10-7-8-16-13-4-2-1-3-12(10)13/h1-4,7-8,11H,5-6,9H2,(H3,15,17,18)
InChIKeyUZQDRNBHZLWYIK-UHFFFAOYSA-N
MW240.31 g/mol
LogP1.80
Rot. Bonds3

About 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine

1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine (PubChem CID 111751900) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine.

Molecular Properties

Compound Name1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
PubChem CID111751900
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine
SMILESN/C(=N\Cc1ccnc2ccccc12)NC1CC1
InChIInChI=1S/C14H16N4/c15-14(18-11-5-6-11)17-9-10-7-8-16-13-4-2-1-3-12(10)13/h1-4,7-8,11H,5-6,9H2,(H3,15,17,18)
InChIKeyUZQDRNBHZLWYIK-UHFFFAOYSA-N
XLogP1.80
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 51.80
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

Quinoline
CID 7047
4-Methylquinoline
CID 10285
3-Aminoquinoline
CID 11375
3-Methylquinoline
CID 11926
5-Aminoquinoline
CID 11911
6-Aminoquinoline
CID 11373
4-Aminoquinoline
CID 68476
A804598
CID 53325874
Midaglizole
CID 68864
BU 224
CID 2457
(Isobutyl)quinoline
CID 74005
Diethyl[4-(4-quinolylamino)pentyl]amine
CID 474865

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
The IUPAC name of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine (CID 111751900) is 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine.
What is the SMILES notation for 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
The canonical SMILES for 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine is N/C(=N\Cc1ccnc2ccccc12)NC1CC1.
What is the InChIKey of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
The InChIKey is UZQDRNBHZLWYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c15-14(18-11-5-6-11)17-9-10-7-8-16-13-4-2-1-3-12(10)13/h1-4,7-8,11H,5-6,9H2,(H3,15,17,18).
What are the key properties of 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine?
1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine has a molecular weight of 240.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(quinolin-4-ylmethyl)guanidine is sourced from PubChem (CID 111751900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).