4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol

C14H19N3O — CID 113242419

IUPAC4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)Nc1cnc2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-10(2)11(7-8-18)16-14-9-15-12-5-3-4-6-13(12)17-14/h3-6,9-11,18H,7-8H2,1-2H3,(H,16,17)
InChIKeyNQGPRVQCSSUUDU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.45
Rot. Bonds5

About 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol

4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol (PubChem CID 113242419) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
PubChem CID113242419
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol
SMILESCC(C)C(CCO)Nc1cnc2ccccc2n1
InChIInChI=1S/C14H19N3O/c1-10(2)11(7-8-18)16-14-9-15-12-5-3-4-6-13(12)17-14/h3-6,9-11,18H,7-8H2,1-2H3,(H,16,17)
InChIKeyNQGPRVQCSSUUDU-UHFFFAOYSA-N
XLogP2.45
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(quinoxalin-2-ylamino)butan-1-ol
CID 47142817
N-(4-phenylbutan-2-yl)quinoxalin-2-amine
CID 60716412
N-(1-chloro-4,4-dimethylpentan-3-yl)quinoxalin-2-amine
CID 106354521
3-[(6-amino-2-phenylpyrimidin-4-yl)amino]-4-methylpentan-1-ol
CID 106358096
3-N-quinoxalin-2-ylpentane-1,3-diamine
CID 113496622
4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
CID 103696577
3-[(5,6-diamino-2-pyridinyl)amino]-4-methylpentan-1-ol
CID 106348219
N-(1-thiophen-2-ylethyl)quinoxalin-2-amine
CID 47142874
N-(1-pyridin-4-ylethyl)quinoxalin-2-amine
CID 55024904
4-methyl-3-[[6-(propylamino)-2-pyridinyl]amino]pentan-1-ol
CID 106358070
N-[4-(furan-2-yl)butan-2-yl]quinoxalin-2-amine
CID 60716487
N-tert-butyl-2-(quinoxalin-2-ylamino)propanamide
CID 115596829

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol?
The IUPAC name of 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol (CID 113242419) is 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol.
What is the SMILES notation for 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol?
The canonical SMILES for 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol is CC(C)C(CCO)Nc1cnc2ccccc2n1.
What is the InChIKey of 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol?
The InChIKey is NQGPRVQCSSUUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(2)11(7-8-18)16-14-9-15-12-5-3-4-6-13(12)17-14/h3-6,9-11,18H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol?
4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(quinoxalin-2-ylamino)pentan-1-ol is sourced from PubChem (CID 113242419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).