4-pentoxyquinolin-2-amine

C14H18N2O — CID 118174578

IUPAC4-pentoxyquinolin-2-amine
SMILESCCCCCOc1cc(N)nc2ccccc12
InChIInChI=1S/C14H18N2O/c1-2-3-6-9-17-13-10-14(15)16-12-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,16)
InChIKeyKYUABBKGHOMQQA-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.39
Rot. Bonds5

About 4-pentoxyquinolin-2-amine

4-pentoxyquinolin-2-amine (PubChem CID 118174578) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-pentoxyquinolin-2-amine.

Molecular Properties

Compound Name4-pentoxyquinolin-2-amine
PubChem CID118174578
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-pentoxyquinolin-2-amine
SMILESCCCCCOc1cc(N)nc2ccccc12
InChIInChI=1S/C14H18N2O/c1-2-3-6-9-17-13-10-14(15)16-12-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,16)
InChIKeyKYUABBKGHOMQQA-UHFFFAOYSA-N
XLogP3.39
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-heptoxyquinolin-2-yl)methanamine
CID 63377719
4-butoxy-2-(chloromethyl)quinoline
CID 63375315
1-decoxyacridine
CID 159660851
3-(2-methylquinolin-4-yl)oxypropan-1-amine
CID 62349241
1,4-didodecoxynaphthalene
CID 21304164
2-bromo-4-ethoxyquinoline
CID 824618
2-octoxyaniline
CID 14747235
2-[(4-hexoxyphenyl)methyl]quinolin-4-amine
CID 175093861
2-[5-(3-hexoxypropoxy)pentyl]quinolin-4-amine
CID 90318958
2,13-bis[(3,4,5-tridodecoxyphenyl)methyl]-2,4,11,13,15,22-hexazapentacyclo[12.8.0.03,12.05,10.016,21]docosa-1(22),3,5,7,9,11,14,16,18,20-decaene
CID 132542893
1-bromo-2-nonoxynaphthalene
CID 63529773
3-pentoxyquinoline-4-carboxylic acid
CID 79593988

Frequently Asked Questions

What is the IUPAC name of 4-pentoxyquinolin-2-amine?
The IUPAC name of 4-pentoxyquinolin-2-amine (CID 118174578) is 4-pentoxyquinolin-2-amine.
What is the SMILES notation for 4-pentoxyquinolin-2-amine?
The canonical SMILES for 4-pentoxyquinolin-2-amine is CCCCCOc1cc(N)nc2ccccc12.
What is the InChIKey of 4-pentoxyquinolin-2-amine?
The InChIKey is KYUABBKGHOMQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-3-6-9-17-13-10-14(15)16-12-8-5-4-7-11(12)13/h4-5,7-8,10H,2-3,6,9H2,1H3,(H2,15,16).
What are the key properties of 4-pentoxyquinolin-2-amine?
4-pentoxyquinolin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentoxyquinolin-2-amine is sourced from PubChem (CID 118174578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).