N-(2-butoxyethyl)-7-chloroquinolin-4-amine

C15H19ClN2O — CID 61175681

IUPACN-(2-butoxyethyl)-7-chloroquinolin-4-amine
SMILESCCCCOCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-2-3-9-19-10-8-18-14-6-7-17-15-11-12(16)4-5-13(14)15/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyDSDFRRRXARZXST-UHFFFAOYSA-N
MW278.78 g/mol
LogP4.12
Rot. Bonds7

About N-(2-butoxyethyl)-7-chloroquinolin-4-amine

N-(2-butoxyethyl)-7-chloroquinolin-4-amine (PubChem CID 61175681) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is N-(2-butoxyethyl)-7-chloroquinolin-4-amine.

Molecular Properties

Compound NameN-(2-butoxyethyl)-7-chloroquinolin-4-amine
PubChem CID61175681
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC NameN-(2-butoxyethyl)-7-chloroquinolin-4-amine
SMILESCCCCOCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H19ClN2O/c1-2-3-9-19-10-8-18-14-6-7-17-15-11-12(16)4-5-13(14)15/h4-7,11H,2-3,8-10H2,1H3,(H,17,18)
InChIKeyDSDFRRRXARZXST-UHFFFAOYSA-N
XLogP4.12
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 54.12
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

N-butyl-7-chloroquinolin-4-amine
CID 10037042
4-N-(3-butoxypropyl)quinoline-4,7-diamine
CID 103001799
methyl N,N-bis[2-[2-[(7-chloroquinolin-4-yl)amino]ethoxy]ethyl]carbamate
CID 155355426
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[2-[2-[2-(pyridin-4-ylmethylamino)ethoxy]ethoxy]ethyl]quinolin-4-amine
CID 51041299
N'-(7-chloroquinolin-4-yl)-N-ethylethane-1,2-diamine
CID 44543907
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
CID 70870191
CID 70870191
2-N-butyl-4-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]pyrimidine-2,4-diamine
CID 163709350
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
N-(7-chloroquinolin-4-yl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 62639989

Frequently Asked Questions

What is the IUPAC name of N-(2-butoxyethyl)-7-chloroquinolin-4-amine?
The IUPAC name of N-(2-butoxyethyl)-7-chloroquinolin-4-amine (CID 61175681) is N-(2-butoxyethyl)-7-chloroquinolin-4-amine.
What is the SMILES notation for N-(2-butoxyethyl)-7-chloroquinolin-4-amine?
The canonical SMILES for N-(2-butoxyethyl)-7-chloroquinolin-4-amine is CCCCOCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(2-butoxyethyl)-7-chloroquinolin-4-amine?
The InChIKey is DSDFRRRXARZXST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-2-3-9-19-10-8-18-14-6-7-17-15-11-12(16)4-5-13(14)15/h4-7,11H,2-3,8-10H2,1H3,(H,17,18).
What are the key properties of N-(2-butoxyethyl)-7-chloroquinolin-4-amine?
N-(2-butoxyethyl)-7-chloroquinolin-4-amine has a molecular weight of 278.78 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butoxyethyl)-7-chloroquinolin-4-amine is sourced from PubChem (CID 61175681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).