3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline

C23H30N2O3 — CID 168886816

IUPAC3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
SMILESCNCC(O)C(C)(C)C.COc1ccc2c(Oc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13NO2.C7H17NO/c1-18-13-7-8-14-15(11-13)17-10-9-16(14)19-12-5-3-2-4-6-12;1-7(2,3)6(9)5-8-4/h2-11H,1H3;6,8-9H,5H2,1-4H3
InChIKeyNBISRSHJMFFCHM-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.65
Rot. Bonds5

About 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline

3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline (PubChem CID 168886816) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline.

Molecular Properties

Compound Name3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
PubChem CID168886816
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline
SMILESCNCC(O)C(C)(C)C.COc1ccc2c(Oc3ccccc3)ccnc2c1
InChIInChI=1S/C16H13NO2.C7H17NO/c1-18-13-7-8-14-15(11-13)17-10-9-16(14)19-12-5-3-2-4-6-12;1-7(2,3)6(9)5-8-4/h2-11H,1H3;6,8-9H,5H2,1-4H3
InChIKeyNBISRSHJMFFCHM-UHFFFAOYSA-N
XLogP4.65
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
1-amino-2-methylpropan-2-ol;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886754
7-methoxy-4-phenoxyquinoline;N-[1-(1-methylpyrazol-3-yl)ethyl]thiohydroxylamine
CID 168886641
4,7-dimethoxyquinoline
CID 20743716
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
(2R)-1-[[N-[(1R)-1-(4-methoxyphenyl)ethyl]-S-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-2-ol
CID 168886681
1-(4-methoxyphenyl)-N-[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfanylethanamine
CID 168886794
7-chloro-4-phenoxyquinoline;hydrochloride
CID 86033185
1-(4-methoxyphenyl)ethanamine;4-(7-methoxyquinolin-4-yl)oxybenzenethiol
CID 168886716
7-iodo-6-methoxy-4-phenoxyquinoline
CID 90048384
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline?
The IUPAC name of 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline (CID 168886816) is 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline.
What is the SMILES notation for 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline?
The canonical SMILES for 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline is CNCC(O)C(C)(C)C.COc1ccc2c(Oc3ccccc3)ccnc2c1.
What is the InChIKey of 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline?
The InChIKey is NBISRSHJMFFCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2.C7H17NO/c1-18-13-7-8-14-15(11-13)17-10-9-16(14)19-12-5-3-2-4-6-12;1-7(2,3)6(9)5-8-4/h2-11H,1H3;6,8-9H,5H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline?
3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline has a molecular weight of 382.50 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(methylamino)butan-2-ol;7-methoxy-4-phenoxyquinoline is sourced from PubChem (CID 168886816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).