butane-1,3-diol;2-methylquinoline

C14H19NO2 — CID 141397242

IUPACbutane-1,3-diol;2-methylquinoline
SMILESCC(O)CCO.Cc1ccc2ccccc2n1
InChIInChI=1S/C10H9N.C4H10O2/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-4(6)2-3-5/h2-7H,1H3;4-6H,2-3H2,1H3
InChIKeyRGHFSQMLLIAEGZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.29
Rot. Bonds2

About butane-1,3-diol;2-methylquinoline

butane-1,3-diol;2-methylquinoline (PubChem CID 141397242) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is butane-1,3-diol;2-methylquinoline.

Molecular Properties

Compound Namebutane-1,3-diol;2-methylquinoline
PubChem CID141397242
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Namebutane-1,3-diol;2-methylquinoline
SMILESCC(O)CCO.Cc1ccc2ccccc2n1
InChIInChI=1S/C10H9N.C4H10O2/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-4(6)2-3-5/h2-7H,1H3;4-6H,2-3H2,1H3
InChIKeyRGHFSQMLLIAEGZ-UHFFFAOYSA-N
XLogP2.29
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;methane;2-methylquinoline
CID 144748871
2-methylquinoline;naphthalene;hydrochloride
CID 175029103
potassium;hydride;2-methylquinoline;tritetrafluoroborate
CID 175190029
dihydroxy(oxo)phosphanium;2-methylquinoline
CID 174867800
dichloroplatinum;bis(2-methylquinoline)
CID 50909727
1-(2-methylquinolin-6-yl)butane-1,2,4-triol
CID 171873072
2-methylquinoline;pyrimidine
CID 174933863
(3S)-3-amino-3-quinolin-2-ylpropan-1-ol
CID 96860354
4,4-dimethyl-3-(quinolin-2-ylamino)pentan-1-ol
CID 106350849
1-chloronaphthalene;2-methylquinoline
CID 175049880
2-[(1R)-1-fluoroethyl]quinoline
CID 146161668
2-methylquinoline;quinoline-2-carboxamide
CID 174829911

Frequently Asked Questions

What is the IUPAC name of butane-1,3-diol;2-methylquinoline?
The IUPAC name of butane-1,3-diol;2-methylquinoline (CID 141397242) is butane-1,3-diol;2-methylquinoline.
What is the SMILES notation for butane-1,3-diol;2-methylquinoline?
The canonical SMILES for butane-1,3-diol;2-methylquinoline is CC(O)CCO.Cc1ccc2ccccc2n1.
What is the InChIKey of butane-1,3-diol;2-methylquinoline?
The InChIKey is RGHFSQMLLIAEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N.C4H10O2/c1-8-6-7-9-4-2-3-5-10(9)11-8;1-4(6)2-3-5/h2-7H,1H3;4-6H,2-3H2,1H3.
What are the key properties of butane-1,3-diol;2-methylquinoline?
butane-1,3-diol;2-methylquinoline has a molecular weight of 233.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,3-diol;2-methylquinoline is sourced from PubChem (CID 141397242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).