4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol

C16H21N3O — CID 106120256

IUPAC4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cnc2ccccc2c1NCC1CCC(O)CC1
InChIInChI=1S/C16H21N3O/c17-14-10-18-15-4-2-1-3-13(15)16(14)19-9-11-5-7-12(20)8-6-11/h1-4,10-12,20H,5-9,17H2,(H,18,19)
InChIKeyRQZBDYQQQJKJGH-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.78
Rot. Bonds3

About 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol

4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106120256) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106120256
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol
SMILESNc1cnc2ccccc2c1NCC1CCC(O)CC1
InChIInChI=1S/C16H21N3O/c17-14-10-18-15-4-2-1-3-13(15)16(14)19-9-11-5-7-12(20)8-6-11/h1-4,10-12,20H,5-9,17H2,(H,18,19)
InChIKeyRQZBDYQQQJKJGH-UHFFFAOYSA-N
XLogP2.78
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(cyclopropylmethyl)quinoline-3,4-diamine
CID 103962731
4-N-(cyclopentylmethyl)quinoline-3,4-diamine
CID 113359398
2-[[(3-aminoquinolin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103963415
4-N-(oxan-3-ylmethyl)quinoline-3,4-diamine
CID 103963155
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
4-[[(5-aminoquinolin-6-yl)amino]methyl]cyclohexan-1-ol
CID 106120233
4-N-[4-[(3-aminoquinolin-4-yl)amino]butyl]quinoline-3,4-diamine
CID 149004364
4-N-(phosphanyloxymethyl)quinoline-3,4-diamine
CID 58294727
4-N-(2-aminoethyl)quinoline-3,4-diamine
CID 103963227
N-[(4-aminocyclohexyl)methyl]acridin-9-amine
CID 59230418
4-[(3-hydroxycyclobutyl)methylamino]quinoline-3-carboxylic acid
CID 66006604
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol (CID 106120256) is 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol is Nc1cnc2ccccc2c1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is RQZBDYQQQJKJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-14-10-18-15-4-2-1-3-13(15)16(14)19-9-11-5-7-12(20)8-6-11/h1-4,10-12,20H,5-9,17H2,(H,18,19).
What are the key properties of 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol?
4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-aminoquinolin-4-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106120256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).