CID 159244934

C14H15BN2O — CID 159244934

IUPAC—
SMILES[B]Cc1ccc2c3c(c(=O)n(C)c2c1)CCCN3
InChIInChI=1S/C14H15BN2O/c1-17-12-7-9(8-15)4-5-10(12)13-11(14(17)18)3-2-6-16-13/h4-5,7,16H,2-3,6,8H2,1H3
InChIKeyJZMMYGDCCXJVDR-UHFFFAOYSA-N
MW238.10 g/mol
LogP1.57
Rot. Bonds1

About CID 159244934

CID 159244934 (PubChem CID 159244934) has the molecular formula C14H15BN2O and a molecular weight of 238.10 g/mol.

Molecular Properties

Compound NameCID 159244934
PubChem CID159244934
Molecular FormulaC14H15BN2O
Molecular Weight238.10 g/mol
Exact Mass238.13
IUPAC Name—
SMILES[B]Cc1ccc2c3c(c(=O)n(C)c2c1)CCCN3
InChIInChI=1S/C14H15BN2O/c1-17-12-7-9(8-15)4-5-10(12)13-11(14(17)18)3-2-6-16-13/h4-5,7,16H,2-3,6,8H2,1H3
InChIKeyJZMMYGDCCXJVDR-UHFFFAOYSA-N
XLogP1.57
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.10
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
3-[(tert-butylamino)methyl]-7-methylquinolin-2(1H)-one
CID 662793
6-Amino-1-ethyl-1,2,3,4-tetrahydroquinolin-2-one
CID 43446541
N-(2-(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)pivalamide
CID 4110127
2-ethyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]butanamide
CID 4278224
3-methyl-N-(2-(7-methyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)butanamide
CID 4461053
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbutanamide
CID 4112654
(3,4-dihydroquinolin-1(2H)-yl)(6-hydroxypyridin-3-yl)methanone
CID 8853303
7-methyl-3-(methylaminomethyl)-1H-quinolin-2-one
CID 664663
8-[[2-(dimethylamino)ethyl-methylamino]methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424862
9-[(dimethylamino)methyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424871
8-[1-(methylamino)ethyl]-2,3,4,6-tetrahydro-1H-benzo[h][1,6]naphthyridin-5-one
CID 58424874

Frequently Asked Questions

What is the IUPAC name of CID 159244934?
The IUPAC name of CID 159244934 (CID 159244934) is not available.
What is the SMILES notation for CID 159244934?
The canonical SMILES for CID 159244934 is [B]Cc1ccc2c3c(c(=O)n(C)c2c1)CCCN3.
What is the InChIKey of CID 159244934?
The InChIKey is JZMMYGDCCXJVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BN2O/c1-17-12-7-9(8-15)4-5-10(12)13-11(14(17)18)3-2-6-16-13/h4-5,7,16H,2-3,6,8H2,1H3.
What are the key properties of CID 159244934?
CID 159244934 has a molecular weight of 238.10 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 159244934 is sourced from PubChem (CID 159244934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).