5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

C33H44N4O4 — CID 158392253

IUPAC5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.O=C(O)c1cnoc1C1CC1
InChIInChI=1S/C26H37N3O.C7H7NO3/c1-3-4-5-6-7-8-9-10-15-27-18-21-16-24(20-28-19-21)22-11-13-25-23(17-22)12-14-26(30)29(25)2;9-7(10)5-3-8-11-6(5)4-1-2-4/h11,13,16-17,19-20,27H,3-10,12,14-15,18H2,1-2H3;3-4H,1-2H2,(H,9,10)
InChIKeyGXCKBJRWHWHGBW-UHFFFAOYSA-N
MW560.74 g/mol
LogP7.14
Rot. Bonds14

About 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one

5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (PubChem CID 158392253) has the molecular formula C33H44N4O4 and a molecular weight of 560.74 g/mol. Its IUPAC name is 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
PubChem CID158392253
Molecular FormulaC33H44N4O4
Molecular Weight560.74 g/mol
Exact Mass560.34
IUPAC Name5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one
SMILESCCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.O=C(O)c1cnoc1C1CC1
InChIInChI=1S/C26H37N3O.C7H7NO3/c1-3-4-5-6-7-8-9-10-15-27-18-21-16-24(20-28-19-21)22-11-13-25-23(17-22)12-14-26(30)29(25)2;9-7(10)5-3-8-11-6(5)4-1-2-4/h11,13,16-17,19-20,27H,3-10,12,14-15,18H2,1-2H3;3-4H,1-2H2,(H,9,10)
InChIKeyGXCKBJRWHWHGBW-UHFFFAOYSA-N
XLogP7.14
TPSA108.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.74
LogP ≤ 57.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The IUPAC name of 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one (CID 158392253) is 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The canonical SMILES for 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is CCCCCCCCCCNCc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1.O=C(O)c1cnoc1C1CC1.
What is the InChIKey of 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
The InChIKey is GXCKBJRWHWHGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O.C7H7NO3/c1-3-4-5-6-7-8-9-10-15-27-18-21-16-24(20-28-19-21)22-11-13-25-23(17-22)12-14-26(30)29(25)2;9-7(10)5-3-8-11-6(5)4-1-2-4/h11,13,16-17,19-20,27H,3-10,12,14-15,18H2,1-2H3;3-4H,1-2H2,(H,9,10).
What are the key properties of 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one?
5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one has a molecular weight of 560.74 g/mol, XLogP of 7.14, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1,2-oxazole-4-carboxylic acid;6-[5-[(decylamino)methyl]-3-pyridinyl]-1-methyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 158392253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).