(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol

C14H22N2O — CID 115096513

IUPAC(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol
SMILESCC(C)N1c2c(CO)cccc2NCC1(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)16-13-11(8-17)6-5-7-12(13)15-9-14(16,3)4/h5-7,10,15,17H,8-9H2,1-4H3
InChIKeyUEIARXZHBAGVQQ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.60
Rot. Bonds2

About (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol

(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol (PubChem CID 115096513) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol.

Molecular Properties

Compound Name(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol
PubChem CID115096513
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol
SMILESCC(C)N1c2c(CO)cccc2NCC1(C)C
InChIInChI=1S/C14H22N2O/c1-10(2)16-13-11(8-17)6-5-7-12(13)15-9-14(16,3)4/h5-7,10,15,17H,8-9H2,1-4H3
InChIKeyUEIARXZHBAGVQQ-UHFFFAOYSA-N
XLogP2.60
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol?
The IUPAC name of (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol (CID 115096513) is (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol.
What is the SMILES notation for (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol?
The canonical SMILES for (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol is CC(C)N1c2c(CO)cccc2NCC1(C)C.
What is the InChIKey of (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol?
The InChIKey is UEIARXZHBAGVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)16-13-11(8-17)6-5-7-12(13)15-9-14(16,3)4/h5-7,10,15,17H,8-9H2,1-4H3.
What are the key properties of (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol?
(3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol has a molecular weight of 234.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-4-propan-2-yl-1,2-dihydroquinoxalin-5-yl)methanol is sourced from PubChem (CID 115096513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).