1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol

C20H24ClN5O — CID 53375666

IUPAC1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(CCCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1
InChIInChI=1S/C20H24ClN5O/c21-15-5-6-16-17(7-11-23-18(16)13-15)22-10-4-12-26-14-19(24-25-26)20(27)8-2-1-3-9-20/h5-7,11,13-14,27H,1-4,8-10,12H2,(H,22,23)
InChIKeyFAZFIHSKDOXUJU-UHFFFAOYSA-N
MW385.90 g/mol
LogP4.13
Rot. Bonds6

About 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol

1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol (PubChem CID 53375666) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol
PubChem CID53375666
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol
SMILESOC1(c2cn(CCCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1
InChIInChI=1S/C20H24ClN5O/c21-15-5-6-16-17(7-11-23-18(16)13-15)22-10-4-12-26-14-19(24-25-26)20(27)8-2-1-3-9-20/h5-7,11,13-14,27H,1-4,8-10,12H2,(H,22,23)
InChIKeyFAZFIHSKDOXUJU-UHFFFAOYSA-N
XLogP4.13
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
1-[4-[[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methoxy]phenyl]ethanone
CID 53358436
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
7-chloro-N-[3-(7,14,15-trioxa-11-azadispiro[4.2.58.25]pentadecan-11-yl)propyl]quinolin-4-amine
CID 42629269
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
(3E,5E)-1-[[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]methyl]-3,5-bis[(4-fluorophenyl)methylidene]piperidin-4-one
CID 73051392
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol?
The IUPAC name of 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol (CID 53375666) is 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol is OC1(c2cn(CCCNc3ccnc4cc(Cl)ccc34)nn2)CCCCC1.
What is the InChIKey of 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol?
The InChIKey is FAZFIHSKDOXUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c21-15-5-6-16-17(7-11-23-18(16)13-15)22-10-4-12-26-14-19(24-25-26)20(27)8-2-1-3-9-20/h5-7,11,13-14,27H,1-4,8-10,12H2,(H,22,23).
What are the key properties of 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol?
1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol has a molecular weight of 385.90 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[(7-chloroquinolin-4-yl)amino]propyl]triazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 53375666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).