4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol

C23H26ClN3O2 — CID 56963537

IUPAC4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC[C@@H](O)CNCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2
InChIInChI=1S/C23H26ClN3O2/c1-14(28)12-25-13-15-10-22(17-4-2-3-5-18(17)23(15)29)27-20-8-9-26-21-11-16(24)6-7-19(20)21/h6-11,14,25,28-29H,2-5,12-13H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyBKZVHRMIEMXFBS-CQSZACIVSA-N
MW411.93 g/mol
LogP4.69
Rot. Bonds6

About 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol

4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 56963537) has the molecular formula C23H26ClN3O2 and a molecular weight of 411.93 g/mol. Its IUPAC name is 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID56963537
Molecular FormulaC23H26ClN3O2
Molecular Weight411.93 g/mol
Exact Mass411.17
IUPAC Name4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESC[C@@H](O)CNCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2
InChIInChI=1S/C23H26ClN3O2/c1-14(28)12-25-13-15-10-22(17-4-2-3-5-18(17)23(15)29)27-20-8-9-26-21-11-16(24)6-7-19(20)21/h6-11,14,25,28-29H,2-5,12-13H2,1H3,(H,26,27)/t14-/m1/s1
InChIKeyBKZVHRMIEMXFBS-CQSZACIVSA-N
XLogP4.69
TPSA77.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.93
LogP ≤ 54.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

4-[(7-chloroquinolin-4-yl)amino]-2-[(prop-2-enylamino)methyl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 56963615
4-[(7-chloroquinolin-4-yl)amino]-2-[(propan-2-ylamino)methyl]phenol;hydrochloride
CID 44537303
7-chloro-N-[(2R)-3-methylbutan-2-yl]quinolin-4-amine
CID 28826141
4-[(7-chloroquinolin-4-yl)amino]-2,6-bis(pyrrolidin-1-ylmethyl)phenol;ethane;propane
CID 162520037
2-[(7-chloroquinolin-4-yl)amino]-1-cyclopropylethanol
CID 63296139
7-chloro-N-(2,6-dimethylphenyl)quinolin-4-amine
CID 134151417
2,3-dihydroxypropyl 4-[(7-chloroquinolin-4-yl)amino]benzoate
CID 13019126
7-chloro-N-(4-chloro-3-methylbutan-2-yl)quinolin-4-amine
CID 113484977
4-[(7-chloroquinolin-4-yl)amino]naphthalen-1-ol
CID 629366
4-[(7-chloroquinolin-4-yl)amino]-2-[(hexylamino)methyl]phenol
CID 135358665
methyl 3-[(7-chloroquinolin-4-yl)amino]-4-methylbenzoate
CID 172907299
2-amino-3-[4-[(7-chloroquinolin-4-yl)amino]phenyl]propanoic acid
CID 67359465

Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol (CID 56963537) is 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol is C[C@@H](O)CNCc1cc(Nc2ccnc3cc(Cl)ccc23)c2c(c1O)CCCC2.
What is the InChIKey of 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is BKZVHRMIEMXFBS-CQSZACIVSA-N. The full InChI is InChI=1S/C23H26ClN3O2/c1-14(28)12-25-13-15-10-22(17-4-2-3-5-18(17)23(15)29)27-20-8-9-26-21-11-16(24)6-7-19(20)21/h6-11,14,25,28-29H,2-5,12-13H2,1H3,(H,26,27)/t14-/m1/s1.
What are the key properties of 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol?
4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 411.93 g/mol, XLogP of 4.69, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloroquinolin-4-yl)amino]-2-[[[(2R)-2-hydroxypropyl]amino]methyl]-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 56963537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).