N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine

C14H18N4 — CID 63587707

IUPACN-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
SMILESc1ccc2c(NCCN3CCCC3)cnnc2c1
InChIInChI=1S/C14H18N4/c1-2-6-13-12(5-1)14(11-16-17-13)15-7-10-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2,(H,15,17)
InChIKeyBSHDUDVTCAJKLI-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.14
Rot. Bonds4

About N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine

N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine (PubChem CID 63587707) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
PubChem CID63587707
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine
SMILESc1ccc2c(NCCN3CCCC3)cnnc2c1
InChIInChI=1S/C14H18N4/c1-2-6-13-12(5-1)14(11-16-17-13)15-7-10-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2,(H,15,17)
InChIKeyBSHDUDVTCAJKLI-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(2-piperidin-1-ylethyl)quinolin-4-amine;dihydrochloride
CID 45050904
N-(2-piperidin-1-ylethyl)acridin-9-amine
CID 4976664
2-chloro-N-(2-pyrrolidin-1-ylethyl)aniline
CID 62573332
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]cinnolin-4-amine
CID 63586757
1-[2-(cinnolin-4-ylamino)ethyl]imidazole-4-carboxylic acid
CID 107498592
N-(2,2,2-trifluoroethyl)cinnolin-4-amine
CID 63586208
N'-cinnolin-4-yl-N-cyclopropylpropane-1,3-diamine
CID 63586034
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cinnolin-4-amine
CID 107489358
N-(3-chlorobutyl)cinnolin-4-amine
CID 65028318
N-(5,5,5-trifluoropentyl)cinnolin-4-amine
CID 115520682
N-[(1-methylpyrazol-4-yl)methyl]cinnolin-4-amine
CID 55214546
N-[(1-aminocyclobutyl)methyl]cinnolin-4-amine
CID 103353871

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine?
The IUPAC name of N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine (CID 63587707) is N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine.
What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine?
The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine is c1ccc2c(NCCN3CCCC3)cnnc2c1.
What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine?
The InChIKey is BSHDUDVTCAJKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-6-13-12(5-1)14(11-16-17-13)15-7-10-18-8-3-4-9-18/h1-2,5-6,11H,3-4,7-10H2,(H,15,17).
What are the key properties of N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine?
N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ylethyl)cinnolin-4-amine is sourced from PubChem (CID 63587707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).