4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol

C15H18ClN3O — CID 98759676

IUPAC4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol
SMILESNc1cc(Cl)cc2c(NC3CCC(O)CC3)nccc12
InChIInChI=1S/C15H18ClN3O/c16-9-7-13-12(14(17)8-9)5-6-18-15(13)19-10-1-3-11(20)4-2-10/h5-8,10-11,20H,1-4,17H2,(H,18,19)
InChIKeyFNAWESUHFFUGQS-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.19
Rot. Bonds2

About 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol

4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol (PubChem CID 98759676) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol
PubChem CID98759676
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol
SMILESNc1cc(Cl)cc2c(NC3CCC(O)CC3)nccc12
InChIInChI=1S/C15H18ClN3O/c16-9-7-13-12(14(17)8-9)5-6-18-15(13)19-10-1-3-11(20)4-2-10/h5-8,10-11,20H,1-4,17H2,(H,18,19)
InChIKeyFNAWESUHFFUGQS-UHFFFAOYSA-N
XLogP3.19
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-chloroanilino)cyclohexan-1-ol
CID 18509767
4-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 102762405
4-[(2-chloro-4-pyridinyl)amino]cyclohexan-1-ol
CID 103721709
4-[(6-aminoquinazolin-4-yl)amino]cyclohexan-1-ol
CID 64587470
1-N-cyclopropyl-7,8-dimethoxyisoquinoline-1,5-diamine
CID 82570315
4-(3,5-dichloroanilino)cyclohexan-1-ol
CID 54546506
5-chloro-2-N-cyclopentylpyridine-2,3-diamine
CID 58171612
6-chloro-N-cyclopropylquinazolin-4-amine
CID 13231191
4-[(5-amino-3-bromo-2-pyridinyl)amino]cyclohexan-1-ol
CID 79531530
4-[(2-chloro-5-iodo-4-pyridinyl)amino]cyclohexan-1-ol
CID 167426088
4-[(2-amino-6-hydrazinylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 80932012
4-[(4-methyl-2-pyridinyl)amino]cyclohexan-1-ol
CID 58548584

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol (CID 98759676) is 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol is Nc1cc(Cl)cc2c(NC3CCC(O)CC3)nccc12.
What is the InChIKey of 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol?
The InChIKey is FNAWESUHFFUGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-9-7-13-12(14(17)8-9)5-6-18-15(13)19-10-1-3-11(20)4-2-10/h5-8,10-11,20H,1-4,17H2,(H,18,19).
What are the key properties of 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol?
4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol has a molecular weight of 291.78 g/mol, XLogP of 3.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-7-chloroisoquinolin-1-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 98759676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).