4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol

C16H21N3O — CID 106130104

IUPAC4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc2ccccc2nc1NCC1CCC(O)CC1
InChIInChI=1S/C16H21N3O/c1-11-16(17-10-12-6-8-13(20)9-7-12)19-15-5-3-2-4-14(15)18-11/h2-5,12-13,20H,6-10H2,1H3,(H,17,19)
InChIKeyQXLRPUFBHGRCLC-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.90
Rot. Bonds3

About 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol

4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol (PubChem CID 106130104) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
PubChem CID106130104
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol
SMILESCc1nc2ccccc2nc1NCC1CCC(O)CC1
InChIInChI=1S/C16H21N3O/c1-11-16(17-10-12-6-8-13(20)9-7-12)19-15-5-3-2-4-14(15)18-11/h2-5,12-13,20H,6-10H2,1H3,(H,17,19)
InChIKeyQXLRPUFBHGRCLC-UHFFFAOYSA-N
XLogP2.90
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62350855
N-(3-cyclopropylpropyl)-3-methylquinoxalin-2-amine
CID 113238855
4-[(quinazolin-4-ylamino)methyl]cyclohexan-1-ol
CID 106130913
1-(cyclopropylmethoxy)-3-[(3-methylquinoxalin-2-yl)amino]propan-2-ol
CID 133301117
N-[[(3S)-1-(3,4-difluorophenyl)pyrrolidin-3-yl]methyl]-3-methylquinoxalin-2-amine
CID 97002523
methyl (2S)-2-cyano-2-[3-(cyclopropylmethylamino)quinoxalin-2-yl]acetate
CID 94810882
N-(4-ethylcyclohexyl)-3-methylquinoxalin-2-amine
CID 63539648
N-(2-cyclohexyloxyethyl)-3-methylquinoxalin-2-amine
CID 62198078
N-cyclopropyl-2-[(3-methylquinoxalin-2-yl)amino]acetamide
CID 60734132
N-[(4-ethylcyclohexyl)methyl]-3-methylquinolin-2-amine
CID 63535077
1-cyclopropyl-N'-(3-methylquinoxalin-2-yl)ethane-1,2-diamine
CID 63759107
N-(2-chloro-2-cyclopropylethyl)-3-methylquinoxalin-2-amine
CID 65033321

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol (CID 106130104) is 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol is Cc1nc2ccccc2nc1NCC1CCC(O)CC1.
What is the InChIKey of 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
The InChIKey is QXLRPUFBHGRCLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11-16(17-10-12-6-8-13(20)9-7-12)19-15-5-3-2-4-14(15)18-11/h2-5,12-13,20H,6-10H2,1H3,(H,17,19).
What are the key properties of 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol?
4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol has a molecular weight of 271.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-methylquinoxalin-2-yl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106130104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).