N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide

C15H19BrN2O3 — CID 22496619

IUPACN-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1c2cc(Br)ccc2NC(C)(C)C1O
InChIInChI=1S/C15H19BrN2O3/c1-8(19)18(9(2)20)13-11-7-10(16)5-6-12(11)17-15(3,4)14(13)21/h5-7,13-14,17,21H,1-4H3
InChIKeyHKTAOUTXCNPPOG-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.45
Rot. Bonds1

About N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide

N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide (PubChem CID 22496619) has the molecular formula C15H19BrN2O3 and a molecular weight of 355.23 g/mol. Its IUPAC name is N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide
PubChem CID22496619
Molecular FormulaC15H19BrN2O3
Molecular Weight355.23 g/mol
Exact Mass354.06
IUPAC NameN-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide
SMILESCC(=O)N(C(C)=O)C1c2cc(Br)ccc2NC(C)(C)C1O
InChIInChI=1S/C15H19BrN2O3/c1-8(19)18(9(2)20)13-11-7-10(16)5-6-12(11)17-15(3,4)14(13)21/h5-7,13-14,17,21H,1-4H3
InChIKeyHKTAOUTXCNPPOG-UHFFFAOYSA-N
XLogP2.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The IUPAC name of N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide (CID 22496619) is N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide.
What is the SMILES notation for N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The canonical SMILES for N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide is CC(=O)N(C(C)=O)C1c2cc(Br)ccc2NC(C)(C)C1O.
What is the InChIKey of N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide?
The InChIKey is HKTAOUTXCNPPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O3/c1-8(19)18(9(2)20)13-11-7-10(16)5-6-12(11)17-15(3,4)14(13)21/h5-7,13-14,17,21H,1-4H3.
What are the key properties of N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide?
N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide has a molecular weight of 355.23 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(6-bromo-3-hydroxy-2,2-dimethyl-3,4-dihydro-1H-quinolin-4-yl)acetamide is sourced from PubChem (CID 22496619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).