2-pent-4-ynylquinoline-3,4-diamine

C14H15N3 — CID 87893421

IUPAC2-pent-4-ynylquinoline-3,4-diamine
SMILESC#CCCCc1nc2ccccc2c(N)c1N
InChIInChI=1S/C14H15N3/c1-2-3-4-9-12-14(16)13(15)10-7-5-6-8-11(10)17-12/h1,5-8H,3-4,9,16H2,(H2,15,17)
InChIKeySPXUJZDXLPXHFC-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.36
Rot. Bonds3

About 2-pent-4-ynylquinoline-3,4-diamine

2-pent-4-ynylquinoline-3,4-diamine (PubChem CID 87893421) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-pent-4-ynylquinoline-3,4-diamine.

Molecular Properties

Compound Name2-pent-4-ynylquinoline-3,4-diamine
PubChem CID87893421
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name2-pent-4-ynylquinoline-3,4-diamine
SMILESC#CCCCc1nc2ccccc2c(N)c1N
InChIInChI=1S/C14H15N3/c1-2-3-4-9-12-14(16)13(15)10-7-5-6-8-11(10)17-12/h1,5-8H,3-4,9,16H2,(H2,15,17)
InChIKeySPXUJZDXLPXHFC-UHFFFAOYSA-N
XLogP2.36
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acridin-9-amine;λ2-plumbane
CID 173496858
2-(5-methylsulfanylpentyl)-3-nitroquinolin-4-amine
CID 23076729
2-[(5-butyl-1,2-oxazol-3-yl)methyl]quinoline-3,4-diamine
CID 67041405
1-(4-aminoquinolin-2-yl)but-3-yn-1-one
CID 116603510
N-(quinolin-4-ylmethyl)hex-5-yn-1-amine
CID 113256049
3-(2-chloroquinazolin-4-yl)propan-1-amine
CID 87746138
1-hex-5-ynyl-2H-isoindole
CID 91428178
2,3-dibutylquinoxaline
CID 14641798
9-(8-acridin-9-yloctyl)acridine
CID 10504492
2-pentylquinolin-4-amine
CID 14082309
4-(3-propan-2-yloxypropyl)quinazolin-2-amine
CID 154004886
2-ethyl-3-naphthalen-2-ylquinolin-4-amine
CID 174282639

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-ynylquinoline-3,4-diamine?
The IUPAC name of 2-pent-4-ynylquinoline-3,4-diamine (CID 87893421) is 2-pent-4-ynylquinoline-3,4-diamine.
What is the SMILES notation for 2-pent-4-ynylquinoline-3,4-diamine?
The canonical SMILES for 2-pent-4-ynylquinoline-3,4-diamine is C#CCCCc1nc2ccccc2c(N)c1N.
What is the InChIKey of 2-pent-4-ynylquinoline-3,4-diamine?
The InChIKey is SPXUJZDXLPXHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-3-4-9-12-14(16)13(15)10-7-5-6-8-11(10)17-12/h1,5-8H,3-4,9,16H2,(H2,15,17).
What are the key properties of 2-pent-4-ynylquinoline-3,4-diamine?
2-pent-4-ynylquinoline-3,4-diamine has a molecular weight of 225.29 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-ynylquinoline-3,4-diamine is sourced from PubChem (CID 87893421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).