4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine

C21H32ClN3 — CID 178050529

IUPAC4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
SMILESCCCCCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H32ClN3/c1-4-6-7-14-25(5-2)15-8-9-17(3)24-20-12-13-23-21-16-18(22)10-11-19(20)21/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,23,24)
InChIKeyRYLUNICFUCORPD-UHFFFAOYSA-N
MW361.96 g/mol
LogP5.98
Rot. Bonds11

About 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine

4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine (PubChem CID 178050529) has the molecular formula C21H32ClN3 and a molecular weight of 361.96 g/mol. Its IUPAC name is 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
PubChem CID178050529
Molecular FormulaC21H32ClN3
Molecular Weight361.96 g/mol
Exact Mass361.23
IUPAC Name4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine
SMILESCCCCCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H32ClN3/c1-4-6-7-14-25(5-2)15-8-9-17(3)24-20-12-13-23-21-16-18(22)10-11-19(20)21/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,23,24)
InChIKeyRYLUNICFUCORPD-UHFFFAOYSA-N
XLogP5.98
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.96
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine with MolForge

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Related Compounds

1-N-(2-aminoethyl)-4-N-(7-chloroquinolin-4-yl)-1-N-ethylpentane-1,4-diamine;ethane;methanamine
CID 153353135
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
CID 134081808
CID 134081808
4-N-(7-chloro-3-tritioquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 10087451
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-[2-(prop-1-en-2-ylamino)oxyethyl]pentane-1,4-diamine
CID 146188349
(2S)-2-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpropane-1,2-diamine
CID 11666461
2-[[(4R)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethyl bis(2,2,2-trifluoroethyl) phosphate
CID 155670045
1-N,1-N-diethyl-4-N-(7-ethylquinolin-4-yl)pentane-1,4-diamine
CID 170239569
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-(1,1,2,2,2-pentadeuterioethyl)amino]ethanol
CID 169441702

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine?
The IUPAC name of 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine (CID 178050529) is 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine is CCCCCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine?
The InChIKey is RYLUNICFUCORPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32ClN3/c1-4-6-7-14-25(5-2)15-8-9-17(3)24-20-12-13-23-21-16-18(22)10-11-19(20)21/h10-13,16-17H,4-9,14-15H2,1-3H3,(H,23,24).
What are the key properties of 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine?
4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine has a molecular weight of 361.96 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloroquinolin-4-yl)-1-N-ethyl-1-N-pentylpentane-1,4-diamine is sourced from PubChem (CID 178050529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).