4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine

C18H17N3 — CID 103000900

IUPAC4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine
SMILESNc1ccc2c(NC3CC3c3ccccc3)ccnc2c1
InChIInChI=1S/C18H17N3/c19-13-6-7-14-16(8-9-20-17(14)10-13)21-18-11-15(18)12-4-2-1-3-5-12/h1-10,15,18H,11,19H2,(H,20,21)
InChIKeySAEHRBPOCNNVRO-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.79
Rot. Bonds3

About 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine

4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine (PubChem CID 103000900) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine.

Molecular Properties

Compound Name4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine
PubChem CID103000900
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine
SMILESNc1ccc2c(NC3CC3c3ccccc3)ccnc2c1
InChIInChI=1S/C18H17N3/c19-13-6-7-14-16(8-9-20-17(14)10-13)21-18-11-15(18)12-4-2-1-3-5-12/h1-10,15,18H,11,19H2,(H,20,21)
InChIKeySAEHRBPOCNNVRO-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2,2-dimethylcyclopropyl)quinoline-4,7-diamine
CID 103000945
4-N-(2-ethylcyclohexyl)quinoline-4,7-diamine
CID 103000682
4-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)quinoline-4,7-diamine
CID 103001394
3-N-(2-phenylcyclopropyl)pyrazine-2,3-diamine
CID 113228947
5-N-(2-phenylcyclopropyl)pyridine-3,5-diamine
CID 104533929
4-methyl-N-(2-phenylcyclopropyl)pyrimidin-2-amine
CID 62958917
trans-(1S,2S)-1-N-benzyl-2-N-(7-chloroquinolin-4-yl)cyclohexane-1,2-diamine
CID 11660608
3-[(7-aminoquinolin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 103001402
3-[(2-phenylcyclopropyl)amino]pyridine-4-carbothioamide
CID 114288410
4-N-[(4-methylcyclohexyl)methyl]quinoline-4,7-diamine
CID 103001147
4,5-dimethoxy-2-N-(2-phenylcyclopropyl)benzene-1,2-diamine
CID 83004628
4-N-(2,3-dimethylphenyl)quinoline-4,7-diamine
CID 103000338

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine?
The IUPAC name of 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine (CID 103000900) is 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine.
What is the SMILES notation for 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine?
The canonical SMILES for 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine is Nc1ccc2c(NC3CC3c3ccccc3)ccnc2c1.
What is the InChIKey of 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine?
The InChIKey is SAEHRBPOCNNVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3/c19-13-6-7-14-16(8-9-20-17(14)10-13)21-18-11-15(18)12-4-2-1-3-5-12/h1-10,15,18H,11,19H2,(H,20,21).
What are the key properties of 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine?
4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine has a molecular weight of 275.36 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-phenylcyclopropyl)quinoline-4,7-diamine is sourced from PubChem (CID 103000900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).