1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine

C16H22N4 — CID 121005240

IUPAC1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine
SMILESCC(C)/N=C(/Nc1ccc2ccccc2n1)NC(C)C
InChIInChI=1S/C16H22N4/c1-11(2)17-16(18-12(3)4)20-15-10-9-13-7-5-6-8-14(13)19-15/h5-12H,1-4H3,(H2,17,18,19,20)
InChIKeyIJRSKMOPAZPFBM-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.41
Rot. Bonds3

About 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine

1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine (PubChem CID 121005240) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine
PubChem CID121005240
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine
SMILESCC(C)/N=C(/Nc1ccc2ccccc2n1)NC(C)C
InChIInChI=1S/C16H22N4/c1-11(2)17-16(18-12(3)4)20-15-10-9-13-7-5-6-8-14(13)19-15/h5-12H,1-4H3,(H2,17,18,19,20)
InChIKeyIJRSKMOPAZPFBM-UHFFFAOYSA-N
XLogP3.41
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.41
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

2-amino-N-quinolin-2-ylacetamide
CID 54505370
N-quinolin-2-ylcyclopentanecarboxamide
CID 39959364
N-(2-phenylpropyl)quinolin-2-amine
CID 115569576
1-ethyl-3-quinolin-2-ylthiourea
CID 166478949
1-acridin-3-yl-3-propan-2-ylthiourea
CID 126195669
N-[bis(phosphanyl)methyl]quinolin-2-amine
CID 118465830
1-N-quinolin-2-ylbutane-1,3-diamine
CID 63251635
N-(3-ethylpentan-2-yl)quinolin-2-amine
CID 55260765
1-[2-methyl-1-(1-methylpyrazol-4-yl)propyl]-3-quinolin-2-ylurea
CID 136563591
(2R,3R)-3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-quinolin-2-ylpropanamide
CID 70810642
3-(2-hydroxyphenyl)-N-quinolin-2-ylpropanamide
CID 46654912
2,2,3-trimethyl-3-(quinolin-2-ylamino)butanoic acid
CID 65266135

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine?
The IUPAC name of 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine (CID 121005240) is 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine.
What is the SMILES notation for 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine?
The canonical SMILES for 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine is CC(C)/N=C(/Nc1ccc2ccccc2n1)NC(C)C.
What is the InChIKey of 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine?
The InChIKey is IJRSKMOPAZPFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)17-16(18-12(3)4)20-15-10-9-13-7-5-6-8-14(13)19-15/h5-12H,1-4H3,(H2,17,18,19,20).
What are the key properties of 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine?
1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine has a molecular weight of 270.38 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-3-quinolin-2-ylguanidine is sourced from PubChem (CID 121005240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).