N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide

C32H29N3O4 — CID 20814241

IUPACN-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide
SMILESCOc1cc2[nH]c(-c3ccc4c(c3)C(N(C)C(=O)CCc3ccccc3)CC4)cc(=O)c2cc1-c1cnco1
InChIInChI=1S/C32H29N3O4/c1-35(32(37)13-8-20-6-4-3-5-7-20)28-12-11-21-9-10-22(14-23(21)28)26-16-29(36)24-15-25(31-18-33-19-39-31)30(38-2)17-27(24)34-26/h3-7,9-10,14-19,28H,8,11-13H2,1-2H3,(H,34,36)
InChIKeyPLQSOJKAWOJOJL-UHFFFAOYSA-N
MW519.60 g/mol
LogP5.94
Rot. Bonds7

About N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide

N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide (PubChem CID 20814241) has the molecular formula C32H29N3O4 and a molecular weight of 519.60 g/mol. Its IUPAC name is N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide
PubChem CID20814241
Molecular FormulaC32H29N3O4
Molecular Weight519.60 g/mol
Exact Mass519.22
IUPAC NameN-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide
SMILESCOc1cc2[nH]c(-c3ccc4c(c3)C(N(C)C(=O)CCc3ccccc3)CC4)cc(=O)c2cc1-c1cnco1
InChIInChI=1S/C32H29N3O4/c1-35(32(37)13-8-20-6-4-3-5-7-20)28-12-11-21-9-10-22(14-23(21)28)26-16-29(36)24-15-25(31-18-33-19-39-31)30(38-2)17-27(24)34-26/h3-7,9-10,14-19,28H,8,11-13H2,1-2H3,(H,34,36)
InChIKeyPLQSOJKAWOJOJL-UHFFFAOYSA-N
XLogP5.94
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide 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 N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide?
The IUPAC name of N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide (CID 20814241) is N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide?
The canonical SMILES for N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide is COc1cc2[nH]c(-c3ccc4c(c3)C(N(C)C(=O)CCc3ccccc3)CC4)cc(=O)c2cc1-c1cnco1.
What is the InChIKey of N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide?
The InChIKey is PLQSOJKAWOJOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N3O4/c1-35(32(37)13-8-20-6-4-3-5-7-20)28-12-11-21-9-10-22(14-23(21)28)26-16-29(36)24-15-25(31-18-33-19-39-31)30(38-2)17-27(24)34-26/h3-7,9-10,14-19,28H,8,11-13H2,1-2H3,(H,34,36).
What are the key properties of N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide?
N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide has a molecular weight of 519.60 g/mol, XLogP of 5.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[7-methoxy-6-(1,3-oxazol-5-yl)-4-oxo-1H-quinolin-2-yl]-2,3-dihydro-1H-inden-1-yl]-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 20814241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).